# generated using pymatgen
data_LiYb2ReH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09662347
_cell_length_b   5.09662301
_cell_length_c   5.09662347
_cell_angle_alpha   119.99999661
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYb2ReH6
_chemical_formula_sum   'Li1 Yb2 Re1 H6'
_cell_volume   93.61224417
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb1  1  0.74999900  0.49999800  0.25000100  1.0
  Yb  Yb2  1  0.24999700  0.49999800  0.74999900  1.0
  Re  Re3  1  0.50000000  0.00000000  0.50000000  1.0
  H  H4  1  0.25467004  0.00000000  0.25467004  1.0
  H  H5  1  0.25467104  0.50934209  0.25467104  1.0
  H  H6  1  0.74532896  0.00000000  0.25467104  1.0
  H  H7  1  0.74532896  0.49065791  0.74532896  1.0
  H  H8  1  0.25467104  0.00000000  0.74532896  1.0
  H  H9  1  0.74532996  1.00000000  0.74532996  1.0