# generated using pymatgen data_Ba(MgAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49298382 _cell_length_b 4.49298329 _cell_length_c 7.77005598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(MgAs)2 _chemical_formula_sum 'Ba1 Mg2 As2' _cell_volume 135.83899297 _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 Ba Ba0 1 0.00000000 -0.00000000 -0.00000000 1.0 Mg Mg1 1 0.66666700 0.33333300 0.37726350 1.0 Mg Mg2 1 0.33333300 0.66666700 0.62273650 1.0 As As3 1 0.66666700 0.33333300 0.72476472 1.0 As As4 1 0.33333300 0.66666700 0.27523528 1.0