# generated using pymatgen data_NdMn4MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76252021 _cell_length_b 10.89089608 _cell_length_c 12.31480695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdMn4MoP3 _chemical_formula_sum 'Nd4 Mn16 Mo4 P12' _cell_volume 504.62651209 _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 Nd Nd0 1 0.25000000 0.59210342 0.70685641 1.0 Nd Nd1 1 0.25000000 0.90789658 0.20685641 1.0 Nd Nd2 1 0.75000000 0.40789658 0.29314359 1.0 Nd Nd3 1 0.75000000 0.09210342 0.79314359 1.0 Mn Mn4 1 0.25000000 0.40734408 0.49741021 1.0 Mn Mn5 1 0.25000000 0.09265592 0.99741021 1.0 Mn Mn6 1 0.75000000 0.59265592 0.50258979 1.0 Mn Mn7 1 0.75000000 0.90734408 0.00258979 1.0 Mn Mn8 1 0.25000000 0.20552641 0.18550041 1.0 Mn Mn9 1 0.25000000 0.29447359 0.68550041 1.0 Mn Mn10 1 0.75000000 0.79447359 0.81449959 1.0 Mn Mn11 1 0.75000000 0.70552641 0.31449959 1.0 Mn Mn12 1 0.25000000 0.88849021 0.68655956 1.0 Mn Mn13 1 0.25000000 0.61150979 0.18655956 1.0 Mn Mn14 1 0.75000000 0.11150979 0.31344044 1.0 Mn Mn15 1 0.75000000 0.38849021 0.81344044 1.0 Mn Mn16 1 0.25000000 0.46862955 0.93786003 1.0 Mn Mn17 1 0.25000000 0.03137045 0.43786003 1.0 Mn Mn18 1 0.75000000 0.53137045 0.06213997 1.0 Mn Mn19 1 0.75000000 0.96862955 0.56213997 1.0 Mo Mo20 1 0.25000000 0.71201180 0.97954374 1.0 Mo Mo21 1 0.25000000 0.78798820 0.47954374 1.0 Mo Mo22 1 0.75000000 0.28798820 0.02045626 1.0 Mo Mo23 1 0.75000000 0.21201180 0.52045626 1.0 P P24 1 0.25000000 0.40872596 0.11497392 1.0 P P25 1 0.25000000 0.09127404 0.61497392 1.0 P P26 1 0.75000000 0.59127404 0.88502608 1.0 P P27 1 0.75000000 0.90872596 0.38502608 1.0 P P28 1 0.25000000 0.27100894 0.87698277 1.0 P P29 1 0.25000000 0.22899106 0.37698277 1.0 P P30 1 0.75000000 0.72899106 0.12301723 1.0 P P31 1 0.75000000 0.77100894 0.62301723 1.0 P P32 1 0.25000000 0.59131115 0.38170668 1.0 P P33 1 0.25000000 0.90868885 0.88170668 1.0 P P34 1 0.75000000 0.40868885 0.61829332 1.0 P P35 1 0.75000000 0.09131115 0.11829332 1.0