# generated using pymatgen data_TbCr4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27947688 _cell_length_b 6.27948244 _cell_length_c 6.27950519 _cell_angle_alpha 109.47128746 _cell_angle_beta 109.47130933 _cell_angle_gamma 109.47100049 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCr4(CuO4)3 _chemical_formula_sum 'Tb1 Cr4 Cu3 O12' _cell_volume 190.61242041 _cell_formula_units_Z 1 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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr1 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr2 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr3 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr4 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu6 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.50000000 0.50000000 0.00000000 1.0 O O8 1 0.29894467 0.12049099 0.82154432 1.0 O O9 1 0.70105533 0.87950901 0.17845568 1.0 O O10 1 0.70105033 0.52259365 0.82154032 1.0 O O11 1 0.47741237 0.17845865 0.29895073 1.0 O O12 1 0.17845740 0.29894869 0.47740609 1.0 O O13 1 0.82153960 0.29895169 0.12049229 1.0 O O14 1 0.87950692 0.17845765 0.70105127 1.0 O O15 1 0.82154260 0.70105131 0.52259391 1.0 O O16 1 0.29894967 0.47740635 0.17845968 1.0 O O17 1 0.52258763 0.82154135 0.70104927 1.0 O O18 1 0.17846040 0.70104831 0.87950771 1.0 O O19 1 0.12049308 0.82154235 0.29894873 1.0