# generated using pymatgen data_Ca8Mn7CrO22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68170700 _cell_length_b 7.68170700 _cell_length_c 7.65423600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8Mn7CrO22 _chemical_formula_sum 'Ca8 Mn7 Cr1 O22' _cell_volume 451.66592214 _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 0.25070500 0.25070500 0.25264300 1.0 Ca Ca1 1 0.25067800 0.25067800 0.74303400 1.0 Ca Ca2 1 0.25070500 0.74929500 0.25264300 1.0 Ca Ca3 1 0.25067800 0.74932200 0.74303400 1.0 Ca Ca4 1 0.74929500 0.25070500 0.25264300 1.0 Ca Ca5 1 0.74932200 0.25067800 0.74303400 1.0 Ca Ca6 1 0.74929500 0.74929500 0.25264300 1.0 Ca Ca7 1 0.74932200 0.74932200 0.74303400 1.0 Mn Mn8 1 0.00000000 0.00000000 0.49986000 1.0 Mn Mn9 1 0.00000000 0.50000000 0.00635600 1.0 Mn Mn10 1 0.00000000 0.50000000 0.49144200 1.0 Mn Mn11 1 0.50000000 0.00000000 0.00635600 1.0 Mn Mn12 1 0.50000000 0.00000000 0.49144200 1.0 Mn Mn13 1 0.50000000 0.50000000 0.99392400 1.0 Mn Mn14 1 0.50000000 0.50000000 0.50419200 1.0 Cr Cr15 1 0.00000000 0.00000000 0.99340900 1.0 O O16 1 0.00000000 0.00000000 0.75511300 1.0 O O17 1 0.00000000 0.50000000 0.24935200 1.0 O O18 1 0.00000000 0.50000000 0.75009700 1.0 O O19 1 0.50000000 0.00000000 0.24935200 1.0 O O20 1 0.50000000 0.00000000 0.75009700 1.0 O O21 1 0.50000000 0.50000000 0.74978500 1.0 O O22 1 0.24189400 0.00000000 0.02724000 1.0 O O23 1 0.24698800 0.00000000 0.47893800 1.0 O O24 1 0.25440900 0.50000000 0.02268500 1.0 O O25 1 0.25440300 0.50000000 0.47776600 1.0 O O26 1 0.75810600 0.00000000 0.02724000 1.0 O O27 1 0.75301200 0.00000000 0.47893800 1.0 O O28 1 0.74559100 0.50000000 0.02268500 1.0 O O29 1 0.74559700 0.50000000 0.47776600 1.0 O O30 1 0.00000000 0.24189400 0.02724000 1.0 O O31 1 0.00000000 0.24698800 0.47893800 1.0 O O32 1 0.00000000 0.75810600 0.02724000 1.0 O O33 1 0.00000000 0.75301200 0.47893800 1.0 O O34 1 0.50000000 0.25440900 0.02268500 1.0 O O35 1 0.50000000 0.25440300 0.47776600 1.0 O O36 1 0.50000000 0.74559100 0.02268500 1.0 O O37 1 0.50000000 0.74559700 0.47776600 1.0