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aa61e51 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | data_SrTiO3_cubic
#
# This is a generated representative CIF file for Cubic SrTiO3 (Perovskite)
# for the purpose of structural and graph analysis.
#
_audit_creation_method 'Generated by AI Assistant'
_chemical_name_systematic 'Strontium Titanate'
_chemical_formula_sum 'O3 Sr Ti'
# Crystal data
_cell_length_a 3.9050
_cell_length_b 3.9050
_cell_length_c 3.9050
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 59.55
_symmetry_space_group_name_H-M 'P m -3 m'
_symmetry_Int_Tables_number 221
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
# (... Note: Standard International Tables contain 48 symmetry operations
# for Pm-3m. For brevity in graphical analysis representation,
# often only the identity and generating operators are listed,
# but standard parsing tools know the full group.)
# We rely on the space group number and fractional coordinates below.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.00000 0.00000 0.00000 1.0
Ti1 Ti 0.50000 0.50000 0.50000 1.0
O1 O 0.50000 0.50000 0.00000 1.0 |