# generated using pymatgen data_MnNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14306410 _cell_length_b 6.17802231 _cell_length_c 3.75125619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.19218021 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNiAs _chemical_formula_sum 'Mn3 Ni3 As3' _cell_volume 123.05452481 _cell_formula_units_Z 3 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 Mn Mn0 1 0.41621841 0.41602060 0.50000000 1.0 Mn Mn1 1 0.58383546 0.99981579 0.50000000 1.0 Mn Mn2 1 0.00000950 0.58538786 0.50000000 1.0 Ni Ni3 1 0.75426132 0.75292318 0.00000000 1.0 Ni Ni4 1 0.24578134 -0.00130344 0.00000000 1.0 Ni Ni5 1 0.00001822 0.24576475 -0.00000000 1.0 As As6 1 0.66587640 0.33253820 -0.00000000 1.0 As As7 1 0.33406499 0.66653384 -0.00000000 1.0 As As8 1 -0.00006564 0.00231922 0.50000000 1.0