# generated using pymatgen
data_CaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39550994
_cell_length_b   6.39550994
_cell_length_c   6.39550998
_cell_angle_alpha   58.38445849
_cell_angle_beta   58.38445849
_cell_angle_gamma   58.38445630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2O4
_chemical_formula_sum   'Ca2 Mn4 O8'
_cell_volume   178.13345693
_cell_formula_units_Z   2
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  0.98956300  0.98956300  0.98956300  1.0
  Ca  Ca1  1  0.37560200  0.37560200  0.37560200  1.0
  Mn  Mn2  1  0.75904100  0.75904100  0.75904100  1.0
  Mn  Mn3  1  0.37258400  0.37258400  0.87840500  1.0
  Mn  Mn4  1  0.37258400  0.87840500  0.37258400  1.0
  Mn  Mn5  1  0.87840500  0.37258400  0.37258400  1.0
  O  O6  1  0.17179500  0.63034700  0.63034700  1.0
  O  O7  1  0.63034700  0.17179500  0.63034700  1.0
  O  O8  1  0.63034700  0.63034700  0.17179500  1.0
  O  O9  1  0.62452700  0.62452700  0.62452700  1.0
  O  O10  1  0.13260000  0.13260000  0.13260000  1.0
  O  O11  1  0.12558600  0.12558600  0.56143900  1.0
  O  O12  1  0.12558600  0.56143900  0.12558600  1.0
  O  O13  1  0.56143900  0.12558600  0.12558600  1.0