# generated using pymatgen data_Th3Cr(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82021447 _cell_length_b 10.69371828 _cell_length_c 12.37972786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Cr(Co4P3)2 _chemical_formula_sum 'Th6 Cr2 Co16 P12' _cell_volume 505.74032328 _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 Th Th0 1 0.00000000 0.50000000 0.52381453 1.0 Th Th1 1 0.50000000 0.00000000 0.47618547 1.0 Th Th2 1 0.50000000 0.81736111 0.20452741 1.0 Th Th3 1 0.50000000 0.18263889 0.20452741 1.0 Th Th4 1 0.00000000 0.68263889 0.79547259 1.0 Th Th5 1 0.00000000 0.31736111 0.79547259 1.0 Cr Cr6 1 0.50000000 0.50000000 0.14878609 1.0 Cr Cr7 1 0.00000000 0.00000000 0.85121391 1.0 Co Co8 1 0.50000000 0.50000000 0.70222527 1.0 Co Co9 1 0.00000000 0.00000000 0.29777473 1.0 Co Co10 1 0.00000000 0.50000000 0.98540791 1.0 Co Co11 1 0.50000000 0.00000000 0.01459209 1.0 Co Co12 1 0.50000000 0.33304282 0.99643594 1.0 Co Co13 1 0.50000000 0.66695718 0.99643594 1.0 Co Co14 1 0.00000000 0.16695718 0.00356406 1.0 Co Co15 1 0.00000000 0.83304282 0.00356406 1.0 Co Co16 1 0.50000000 0.30123046 0.42590525 1.0 Co Co17 1 0.50000000 0.69876954 0.42590525 1.0 Co Co18 1 0.00000000 0.19876954 0.57409475 1.0 Co Co19 1 0.00000000 0.80123046 0.57409475 1.0 Co Co20 1 0.50000000 0.88328988 0.71495278 1.0 Co Co21 1 0.50000000 0.11671012 0.71495278 1.0 Co Co22 1 0.00000000 0.61671012 0.28504722 1.0 Co Co23 1 0.00000000 0.38328988 0.28504722 1.0 P P24 1 0.50000000 0.50000000 0.88881597 1.0 P P25 1 0.00000000 0.00000000 0.11118403 1.0 P P26 1 0.50000000 0.50000000 0.34305102 1.0 P P27 1 0.00000000 0.00000000 0.65694898 1.0 P P28 1 0.50000000 0.30437549 0.61161405 1.0 P P29 1 0.50000000 0.69562451 0.61161405 1.0 P P30 1 0.00000000 0.19562451 0.38838595 1.0 P P31 1 0.00000000 0.80437549 0.38838595 1.0 P P32 1 0.50000000 0.84624332 0.90181083 1.0 P P33 1 0.50000000 0.15375668 0.90181083 1.0 P P34 1 0.00000000 0.65375668 0.09818917 1.0 P P35 1 0.00000000 0.34624332 0.09818917 1.0