# generated using pymatgen data_Ba2MnZn2(AsO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28932005 _cell_length_b 39.52235147 _cell_length_c 4.28931993 _cell_angle_alpha 90.00000675 _cell_angle_beta 90.00000199 _cell_angle_gamma 90.00000643 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnZn2(AsO)2 _chemical_formula_sum 'Ba8 Mn4 Zn8 As8 O8' _cell_volume 727.14273392 _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 Ba Ba0 1 0.50000000 0.04533000 0.50000000 1.0 Ba Ba1 1 0.00000000 0.29533000 0.00000000 1.0 Ba Ba2 1 0.50000000 0.54533000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.79533000 0.00000000 1.0 Ba Ba4 1 0.00000000 0.20467000 0.00000000 1.0 Ba Ba5 1 0.50000000 0.45467000 0.50000000 1.0 Ba Ba6 1 0.00000000 0.70467000 0.00000000 1.0 Ba Ba7 1 0.50000000 0.95467000 0.50000000 1.0 Mn Mn8 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn9 1 0.50000000 0.75000000 0.50000000 1.0 Mn Mn10 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn11 1 0.50000000 0.25000000 0.50000000 1.0 Zn Zn12 1 0.00000000 0.12500000 0.50000000 1.0 Zn Zn13 1 0.50000000 0.37500000 0.00000000 1.0 Zn Zn14 1 0.00000000 0.62500000 0.50000000 1.0 Zn Zn15 1 0.50000000 0.87500000 0.00000000 1.0 Zn Zn16 1 0.50000000 0.12500000 0.00000000 1.0 Zn Zn17 1 0.00000000 0.37500000 0.50000000 1.0 Zn Zn18 1 0.50000000 0.62500000 0.00000000 1.0 Zn Zn19 1 0.00000000 0.87500000 0.50000000 1.0 As As20 1 0.00000000 0.08732800 0.00000000 1.0 As As21 1 0.50000000 0.33732800 0.50000000 1.0 As As22 1 0.00000000 0.58732800 0.00000000 1.0 As As23 1 0.50000000 0.83732800 0.50000000 1.0 As As24 1 0.50000000 0.16267200 0.50000000 1.0 As As25 1 0.00000000 0.41267200 0.00000000 1.0 As As26 1 0.50000000 0.66267200 0.50000000 1.0 As As27 1 0.00000000 0.91267200 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.00000000 1.0 O O29 1 0.00000000 0.25000000 0.50000000 1.0 O O30 1 0.50000000 0.50000000 0.00000000 1.0 O O31 1 0.00000000 0.75000000 0.50000000 1.0 O O32 1 0.00000000 0.00000000 0.50000000 1.0 O O33 1 0.50000000 0.25000000 0.00000000 1.0 O O34 1 0.00000000 0.50000000 0.50000000 1.0 O O35 1 0.50000000 0.75000000 0.00000000 1.0