# generated using pymatgen
data_Ba2CuH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88925981
_cell_length_b   7.88925981
_cell_length_c   5.85575800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.41056466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuH6
_chemical_formula_sum   'Ba4 Cu2 H12'
_cell_volume   251.29340553
_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  0.35816900  0.64183100  0.00000000  1.0
  Ba  Ba1  1  0.85816900  0.14183100  0.50000000  1.0
  Ba  Ba2  1  0.64183100  0.35816900  0.00000000  1.0
  Ba  Ba3  1  0.14183100  0.85816900  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  H  H6  1  0.00027000  0.50027000  0.25000000  1.0
  H  H7  1  0.49973000  0.99973000  0.75000000  1.0
  H  H8  1  0.99973000  0.49973000  0.75000000  1.0
  H  H9  1  0.50027000  0.00027000  0.25000000  1.0
  H  H10  1  0.10898000  0.89102000  0.00000000  1.0
  H  H11  1  0.60898000  0.39102000  0.50000000  1.0
  H  H12  1  0.89102000  0.10898000  0.00000000  1.0
  H  H13  1  0.39102000  0.60898000  0.50000000  1.0
  H  H14  1  0.79185000  0.79185000  0.20705600  1.0
  H  H15  1  0.20815000  0.20815000  0.79294400  1.0
  H  H16  1  0.70815000  0.70815000  0.70705600  1.0
  H  H17  1  0.29185000  0.29185000  0.29294400  1.0