# generated using pymatgen data_Mn3AsO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15540400 _cell_length_b 12.45583400 _cell_length_c 5.15637200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3AsO8 _chemical_formula_sum 'Mn12 As4 O32' _cell_volume 588.02334236 _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 Mn Mn0 1 0.52574600 0.11793400 0.02978500 1.0 Mn Mn1 1 0.02574600 0.38206600 0.47021500 1.0 Mn Mn2 1 0.47425400 0.61793400 0.97021500 1.0 Mn Mn3 1 0.97425400 0.88206600 0.52978500 1.0 Mn Mn4 1 0.47425400 0.88206600 0.97021500 1.0 Mn Mn5 1 0.97425400 0.61793400 0.52978500 1.0 Mn Mn6 1 0.52574600 0.38206600 0.02978500 1.0 Mn Mn7 1 0.02574600 0.11793400 0.47021500 1.0 Mn Mn8 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn9 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn10 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn11 1 0.00000000 0.00000000 0.00000000 1.0 As As12 1 0.65076400 0.75000000 0.47773000 1.0 As As13 1 0.15076400 0.75000000 0.02227000 1.0 As As14 1 0.34923600 0.25000000 0.52227000 1.0 As As15 1 0.84923600 0.25000000 0.97773000 1.0 O O16 1 0.63023900 0.09135000 0.31947100 1.0 O O17 1 0.13023900 0.40865000 0.18052900 1.0 O O18 1 0.36976100 0.59135000 0.68052900 1.0 O O19 1 0.86976100 0.90865000 0.81947100 1.0 O O20 1 0.36976100 0.90865000 0.68052900 1.0 O O21 1 0.86976100 0.59135000 0.81947100 1.0 O O22 1 0.63023900 0.40865000 0.31947100 1.0 O O23 1 0.13023900 0.09135000 0.18052900 1.0 O O24 1 0.41267300 0.13765200 0.68102800 1.0 O O25 1 0.91267300 0.36234800 0.81897200 1.0 O O26 1 0.58732700 0.63765200 0.31897200 1.0 O O27 1 0.08732700 0.86234800 0.18102700 1.0 O O28 1 0.58732700 0.86234800 0.31897200 1.0 O O29 1 0.08732700 0.63765200 0.18102700 1.0 O O30 1 0.41267300 0.36234800 0.68102800 1.0 O O31 1 0.91267300 0.13765200 0.81897200 1.0 O O32 1 0.39524400 0.00522100 0.16809400 1.0 O O33 1 0.89524400 0.49477900 0.33190600 1.0 O O34 1 0.60475600 0.50522100 0.83190600 1.0 O O35 1 0.10475600 0.99477900 0.66809400 1.0 O O36 1 0.60475600 0.99477900 0.83190600 1.0 O O37 1 0.10475600 0.50522100 0.66809400 1.0 O O38 1 0.39524400 0.49477900 0.16809400 1.0 O O39 1 0.89524400 0.00522100 0.33190600 1.0 O O40 1 0.59030700 0.75000000 0.79772500 1.0 O O41 1 0.09030700 0.75000000 0.70227500 1.0 O O42 1 0.40969300 0.25000000 0.20227500 1.0 O O43 1 0.90969300 0.25000000 0.29772500 1.0 O O44 1 0.65970400 0.25000000 0.94066800 1.0 O O45 1 0.15970400 0.25000000 0.55933200 1.0 O O46 1 0.34029600 0.75000000 0.05933200 1.0 O O47 1 0.84029600 0.75000000 0.44066800 1.0