| # generated using pymatgen | |
| data_ErCuW | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 5.21029575 | |
| _cell_length_b 5.31100701 | |
| _cell_length_c 5.31434454 | |
| _cell_angle_alpha 59.90704553 | |
| _cell_angle_beta 59.52171741 | |
| _cell_angle_gamma 60.27330045 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural ErCuW | |
| _chemical_formula_sum 'Er2 Cu2 W2' | |
| _cell_volume 103.74254177 | |
| _cell_formula_units_Z 2 | |
| loop_ | |
| _symmetry_equiv_pos_site_id | |
| _symmetry_equiv_pos_as_xyz | |
| 1 'x, y, z' | |
| loop_ | |
| _atom_site_type_symbol | |
| _atom_site_label | |
| _atom_site_symmetry_multiplicity | |
| _atom_site_fract_x | |
| _atom_site_fract_y | |
| _atom_site_fract_z | |
| _atom_site_occupancy | |
| Er Er0 1 0.09215225 0.57420981 0.71032280 1 | |
| Er Er1 1 0.37972191 0.83968920 0.90313512 1 | |
| W W2 1 0.74352890 0.21331170 0.70265126 1 | |
| W W3 1 0.29565609 0.20343257 0.26735446 1 | |
| Cu Cu4 1 0.73756313 0.77782845 0.31955069 1 | |
| Cu Cu5 1 0.75137770 0.39152828 0.09698555 1 | |