# generated using pymatgen data_Nd(FeAs3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18441606 _cell_length_b 7.18443615 _cell_length_c 7.18443689 _cell_angle_alpha 109.47145394 _cell_angle_beta 109.47134881 _cell_angle_gamma 109.47133315 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(FeAs3)4 _chemical_formula_sum 'Nd1 Fe4 As12' _cell_volume 285.46473614 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe2 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe3 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe4 1 0.00000000 0.00000000 0.50000000 1.0 As As5 1 0.84504233 0.65662764 0.50165588 1.0 As As6 1 0.15495767 0.34337236 0.49834412 1.0 As As7 1 0.15496876 0.65663474 0.81161147 1.0 As As8 1 0.84503124 0.34336526 0.18838853 1.0 As As9 1 0.65663219 0.50165619 0.84504320 1.0 As As10 1 0.34336781 0.49834381 0.15495680 1.0 As As11 1 0.65664129 0.81160728 0.15497585 1.0 As As12 1 0.34335871 0.18839272 0.84502415 1.0 As As13 1 0.50165397 0.84503903 0.65662413 1.0 As As14 1 0.49834603 0.15496097 0.34337587 1.0 As As15 1 0.18838834 0.84502282 0.34335564 1.0 As As16 1 0.81161166 0.15497718 0.65664436 1.0