# generated using pymatgen data_Ca2Ta3As7Rh9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96907432 _cell_length_b 9.91847271 _cell_length_c 9.91847293 _cell_angle_alpha 120.00000073 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ta3As7Rh9 _chemical_formula_sum 'Ca2 Ta3 As7 Rh9' _cell_volume 338.15006441 _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 Ca Ca0 1 0.00000000 0.66666700 0.33333300 1.0 Ca Ca1 1 0.50000000 0.33333300 0.66666700 1.0 Ta Ta2 1 0.50000000 0.78011533 0.90411764 1.0 Ta Ta3 1 0.50000000 0.12400332 0.21988467 1.0 Ta Ta4 1 0.50000000 0.09588236 0.87599668 1.0 As As5 1 0.50000000 0.70847086 0.12311105 1.0 As As6 1 0.50000000 0.41464019 0.29152914 1.0 As As7 1 0.50000000 0.87688895 0.58535981 1.0 As As8 1 0.00000000 0.00000000 0.00000000 1.0 As As9 1 0.00000000 0.58156094 0.70055037 1.0 As As10 1 0.00000000 0.11899043 0.41843906 1.0 As As11 1 0.00000000 0.29944963 0.88100957 1.0 Rh Rh12 1 0.00000000 0.56733702 0.93507896 1.0 Rh Rh13 1 0.00000000 0.36774194 0.43266298 1.0 Rh Rh14 1 0.00000000 0.06492104 0.63225806 1.0 Rh Rh15 1 0.00000000 0.88547917 0.15773061 1.0 Rh Rh16 1 0.00000000 0.27225244 0.11452083 1.0 Rh Rh17 1 0.00000000 0.84226939 0.72774756 1.0 Rh Rh18 1 0.50000000 0.95238487 0.38538590 1.0 Rh Rh19 1 0.50000000 0.43300003 0.04761513 1.0 Rh Rh20 1 0.50000000 0.61461410 0.56699997 1.0