# generated using pymatgen data_TmCo2(PIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81654478 _cell_length_b 10.52150838 _cell_length_c 12.10563632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCo2(PIr)3 _chemical_formula_sum 'Tm4 Co8 P12 Ir12' _cell_volume 486.11160698 _cell_formula_units_Z 4 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 Tm Tm0 1 0.25000000 0.58348505 0.71090187 1.0 Tm Tm1 1 0.25000000 0.91651495 0.21090187 1.0 Tm Tm2 1 0.75000000 0.41651495 0.28909813 1.0 Tm Tm3 1 0.75000000 0.08348505 0.78909813 1.0 Co Co4 1 0.25000000 0.88392446 0.69786878 1.0 Co Co5 1 0.25000000 0.61607554 0.19786878 1.0 Co Co6 1 0.75000000 0.11607554 0.30213122 1.0 Co Co7 1 0.75000000 0.38392446 0.80213122 1.0 Co Co8 1 0.25000000 0.46235390 0.93314807 1.0 Co Co9 1 0.25000000 0.03764610 0.43314807 1.0 Co Co10 1 0.75000000 0.53764610 0.06685193 1.0 Co Co11 1 0.75000000 0.96235390 0.56685193 1.0 P P12 1 0.25000000 0.43367260 0.11128573 1.0 P P13 1 0.25000000 0.06632740 0.61128573 1.0 P P14 1 0.75000000 0.56632740 0.88871427 1.0 P P15 1 0.75000000 0.93367260 0.38871427 1.0 P P16 1 0.25000000 0.27373400 0.86876239 1.0 P P17 1 0.25000000 0.22626600 0.36876239 1.0 P P18 1 0.75000000 0.72626600 0.13123761 1.0 P P19 1 0.75000000 0.77373400 0.63123761 1.0 P P20 1 0.25000000 0.59814702 0.37678380 1.0 P P21 1 0.25000000 0.90185298 0.87678380 1.0 P P22 1 0.75000000 0.40185298 0.62321620 1.0 P P23 1 0.75000000 0.09814702 0.12321620 1.0 Ir Ir24 1 0.25000000 0.72271352 0.99272368 1.0 Ir Ir25 1 0.25000000 0.77728648 0.49272368 1.0 Ir Ir26 1 0.75000000 0.27728648 0.00727632 1.0 Ir Ir27 1 0.75000000 0.22271352 0.50727632 1.0 Ir Ir28 1 0.25000000 0.41051792 0.47500065 1.0 Ir Ir29 1 0.25000000 0.08948208 0.97500065 1.0 Ir Ir30 1 0.75000000 0.58948208 0.52499935 1.0 Ir Ir31 1 0.75000000 0.91051792 0.02499935 1.0 Ir Ir32 1 0.25000000 0.22945406 0.17748858 1.0 Ir Ir33 1 0.25000000 0.27054594 0.67748858 1.0 Ir Ir34 1 0.75000000 0.77054594 0.82251142 1.0 Ir Ir35 1 0.75000000 0.72945406 0.32251142 1.0