structure.cif

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