# generated using pymatgen
data_CaMn7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46526308
_cell_length_b   6.50817030
_cell_length_c   6.50828590
_cell_angle_alpha   109.59442073
_cell_angle_beta   109.34658703
_cell_angle_gamma   109.34649847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn7O12
_chemical_formula_sum   'Ca1 Mn7 O12'
_cell_volume   211.13592535
_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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000100  0.00000100  0.50000200  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn3  1  0.50000100  0.50000000  0.00000100  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.50000100  0.50000200  0.50000100  1.0
  Mn  Mn6  1  0.00000000  0.49999900  0.99999900  1.0
  Mn  Mn7  1  0.50000100  0.99999800  0.00000200  1.0
  O  O8  1  0.13062000  0.82528600  0.32051800  1.0
  O  O9  1  0.81028700  0.67972200  0.50476500  1.0
  O  O10  1  0.30530700  0.49520800  0.17465900  1.0
  O  O11  1  0.86938000  0.17471500  0.67948100  1.0
  O  O12  1  0.18971300  0.32027800  0.49523500  1.0
  O  O13  1  0.69469300  0.50479200  0.82534000  1.0
  O  O14  1  0.52064500  0.83207600  0.69950500  1.0
  O  O15  1  0.82113100  0.30047700  0.13260500  1.0
  O  O16  1  0.68884500  0.86749700  0.16816500  1.0
  O  O17  1  0.47935400  0.16792400  0.30049400  1.0
  O  O18  1  0.17886900  0.69952300  0.86739500  1.0
  O  O19  1  0.31115500  0.13250300  0.83183400  1.0