# generated using pymatgen
data_CaMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32281600
_cell_length_b   8.05115500
_cell_length_c   8.09899895
_cell_angle_alpha   70.39299277
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnO2
_chemical_formula_sum   'Ca4 Mn4 O8'
_cell_volume   204.10530673
_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
  Ca  Ca0  1  0.25000000  0.69801800  0.93063700  1.0
  Ca  Ca1  1  0.75000000  0.30198200  0.06936300  1.0
  Ca  Ca2  1  0.75000000  0.56510200  0.31319100  1.0
  Ca  Ca3  1  0.25000000  0.43489800  0.68680900  1.0
  Mn  Mn4  1  0.75000000  0.06311600  0.81091800  1.0
  Mn  Mn5  1  0.75000000  0.81796000  0.55807500  1.0
  Mn  Mn6  1  0.25000000  0.18204000  0.44192500  1.0
  Mn  Mn7  1  0.25000000  0.93688400  0.18908200  1.0
  O  O8  1  0.75000000  0.05435800  0.31955100  1.0
  O  O9  1  0.75000000  0.30179600  0.56233600  1.0
  O  O10  1  0.25000000  0.69820400  0.43766400  1.0
  O  O11  1  0.25000000  0.94564200  0.68044900  1.0
  O  O12  1  0.25000000  0.17508600  0.93728600  1.0
  O  O13  1  0.75000000  0.56688100  0.80805100  1.0
  O  O14  1  0.75000000  0.82491400  0.06271400  1.0
  O  O15  1  0.25000000  0.43311900  0.19194900  1.0