# generated using pymatgen data_BaMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62060037 _cell_length_b 3.62060037 _cell_length_c 15.27297200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000669 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMoP2 _chemical_formula_sum 'Ba2 Mo2 P4' _cell_volume 173.38652397 _cell_formula_units_Z 2 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 0.50000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo2 1 0.00000000 0.00000000 0.25000000 1.0 Mo Mo3 1 0.00000000 0.00000000 0.75000000 1.0 P P4 1 0.33333300 0.66666700 0.34206000 1.0 P P5 1 0.66666700 0.33333300 0.84206000 1.0 P P6 1 0.33333300 0.66666700 0.15794000 1.0 P P7 1 0.66666700 0.33333300 0.65794000 1.0