# generated using pymatgen
data_BaErFe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45364171
_cell_length_b   6.45364171
_cell_length_c   6.45364171
_cell_angle_alpha   121.22993607
_cell_angle_beta   121.22993607
_cell_angle_gamma   87.88257055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaErFe4O7
_chemical_formula_sum   'Ba1 Er1 Fe4 O7'
_cell_volume   186.39225063
_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
  Ba  Ba0  1  0.25000000  0.75000000  0.50000000  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.13900400  0.34997800  0.72993400  1.0
  Fe  Fe3  1  0.62004400  0.40906900  0.27006600  1.0
  Fe  Fe4  1  0.65002200  0.37995600  0.78902600  1.0
  Fe  Fe5  1  0.59093100  0.86099600  0.21097400  1.0
  O  O6  1  0.82493300  0.31997900  0.09904700  1.0
  O  O7  1  0.22093200  0.72588600  0.90095300  1.0
  O  O8  1  0.68002100  0.77906800  0.50495400  1.0
  O  O9  1  0.27411400  0.17506700  0.49504600  1.0
  O  O10  1  0.75601700  0.75601700  0.00000000  1.0
  O  O11  1  0.24398300  0.24398300  0.00000000  1.0
  O  O12  1  0.75000000  0.25000000  0.50000000  1.0