# generated using pymatgen
data_BaCuReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81485100
_cell_length_b   3.81485100
_cell_length_c   8.31824900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuReO5
_chemical_formula_sum   'Ba1 Cu1 Re1 O5'
_cell_volume   121.05621097
_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  0.00000000  0.00000000  0.02935900  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.28642200  1.0
  Re  Re2  1  0.50000000  0.50000000  0.68029900  1.0
  O  O3  1  0.00000000  0.50000000  0.66734300  1.0
  O  O4  1  0.50000000  0.00000000  0.66734300  1.0
  O  O5  1  0.00000000  0.50000000  0.24541200  1.0
  O  O6  1  0.50000000  0.00000000  0.24541200  1.0
  O  O7  1  0.50000000  0.50000000  0.90311600  1.0