# generated using pymatgen
data_BaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72570452
_cell_length_b   5.72570540
_cell_length_c   4.88273365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00005573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnO3
_chemical_formula_sum   'Ba2 Mn2 O6'
_cell_volume   138.62812637
_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
  Ba  Ba0  1  0.66666700  0.33333300  0.25000000  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.75000000  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O4  1  0.85247464  0.70494928  0.75000000  1.0
  O  O5  1  0.14752536  0.85247464  0.25000000  1.0
  O  O6  1  0.70494928  0.85247464  0.25000000  1.0
  O  O7  1  0.29505072  0.14752536  0.75000000  1.0
  O  O8  1  0.14752536  0.29505072  0.25000000  1.0
  O  O9  1  0.85247464  0.14752536  0.75000000  1.0