# generated using pymatgen data_Ca8Mn7CrO23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59874100 _cell_length_b 7.59874100 _cell_length_c 7.70658400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8Mn7CrO23 _chemical_formula_sum 'Ca8 Mn7 Cr1 O23' _cell_volume 444.98482470 _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 Ca Ca0 1 0.25966700 0.25966700 0.25195100 1.0 Ca Ca1 1 0.26465200 0.26465200 0.74131700 1.0 Ca Ca2 1 0.25966700 0.74033300 0.25195100 1.0 Ca Ca3 1 0.26465200 0.73534800 0.74131700 1.0 Ca Ca4 1 0.74033300 0.25966700 0.25195100 1.0 Ca Ca5 1 0.73534800 0.26465200 0.74131700 1.0 Ca Ca6 1 0.74033300 0.74033300 0.25195100 1.0 Ca Ca7 1 0.73534800 0.73534800 0.74131700 1.0 Mn Mn8 1 0.00000000 0.00000000 0.50240000 1.0 Mn Mn9 1 0.00000000 0.50000000 0.00325100 1.0 Mn Mn10 1 0.00000000 0.50000000 0.49495400 1.0 Mn Mn11 1 0.50000000 0.00000000 0.00325100 1.0 Mn Mn12 1 0.50000000 0.00000000 0.49495400 1.0 Mn Mn13 1 0.50000000 0.50000000 0.00055700 1.0 Mn Mn14 1 0.50000000 0.50000000 0.49758100 1.0 Cr Cr15 1 0.00000000 0.00000000 0.98948800 1.0 O O16 1 0.00000000 0.00000000 0.75842300 1.0 O O17 1 0.00000000 0.50000000 0.24951600 1.0 O O18 1 0.00000000 0.50000000 0.75033700 1.0 O O19 1 0.50000000 0.00000000 0.24951600 1.0 O O20 1 0.50000000 0.00000000 0.75033700 1.0 O O21 1 0.50000000 0.50000000 0.24982500 1.0 O O22 1 0.50000000 0.50000000 0.74866100 1.0 O O23 1 0.24075200 0.00000000 0.03351000 1.0 O O24 1 0.24795300 0.00000000 0.47455500 1.0 O O25 1 0.25065600 0.50000000 0.99455600 1.0 O O26 1 0.25122300 0.50000000 0.50584700 1.0 O O27 1 0.75924800 0.00000000 0.03351000 1.0 O O28 1 0.75204700 0.00000000 0.47455500 1.0 O O29 1 0.74934400 0.50000000 0.99455600 1.0 O O30 1 0.74877600 0.50000000 0.50584700 1.0 O O31 1 0.00000000 0.24075200 0.03351000 1.0 O O32 1 0.00000000 0.24795300 0.47455500 1.0 O O33 1 0.00000000 0.75924800 0.03351000 1.0 O O34 1 0.00000000 0.75204700 0.47455500 1.0 O O35 1 0.50000000 0.25065600 0.99455600 1.0 O O36 1 0.50000000 0.25122300 0.50584700 1.0 O O37 1 0.50000000 0.74934400 0.99455600 1.0 O O38 1 0.50000000 0.74877600 0.50584700 1.0