# generated using pymatgen
data_Ba4FeMoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23735952
_cell_length_b   7.23735905
_cell_length_c   5.79510105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.90635255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4FeMoO8
_chemical_formula_sum   'Ba4 Fe1 Mo1 O8'
_cell_volume   222.33589919
_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  0.35482645  0.64517355  0.00000000  1.0
  Ba  Ba1  1  0.85730240  0.14269760  0.50000000  1.0
  Ba  Ba2  1  0.14269760  0.85730240  0.50000000  1.0
  Ba  Ba3  1  0.64517355  0.35482645  0.00000000  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.15241267  0.84758733  0.00000000  1.0
  O  O7  1  0.64916927  0.35083073  0.50000000  1.0
  O  O8  1  0.35083073  0.64916927  0.50000000  1.0
  O  O9  1  0.84758733  0.15241267  0.00000000  1.0
  O  O10  1  0.26247659  0.26247659  0.26290756  1.0
  O  O11  1  0.73752341  0.73752341  0.73709244  1.0
  O  O12  1  0.26247659  0.26247659  0.73709244  1.0
  O  O13  1  0.73752341  0.73752341  0.26290756  1.0