# generated using pymatgen
data_Ho2Lu2BCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76378563
_cell_length_b   12.37433489
_cell_length_c   12.79814389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Lu2BCl6
_chemical_formula_sum   'Ho4 Lu4 B2 Cl12'
_cell_volume   596.06515478
_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
  Ho  Ho0  1  0.50000000  0.12731692  0.85055247  1.0
  Ho  Ho1  1  0.50000000  0.87268308  0.14944753  1.0
  Ho  Ho2  1  0.50000000  0.62731692  0.64944753  1.0
  Ho  Ho3  1  0.50000000  0.37268308  0.35055247  1.0
  Lu  Lu4  1  0.00000000  0.10404861  0.08286440  1.0
  Lu  Lu5  1  0.00000000  0.89595139  0.91713560  1.0
  Lu  Lu6  1  0.00000000  0.60404861  0.41713560  1.0
  Lu  Lu7  1  0.00000000  0.39595139  0.58286440  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.27105161  0.68128974  1.0
  Cl  Cl11  1  0.50000000  0.72894839  0.31871026  1.0
  Cl  Cl12  1  0.50000000  0.77105161  0.81871026  1.0
  Cl  Cl13  1  0.50000000  0.22894839  0.18128974  1.0
  Cl  Cl14  1  0.00000000  0.25953305  0.93317920  1.0
  Cl  Cl15  1  0.00000000  0.74046695  0.06682080  1.0
  Cl  Cl16  1  0.00000000  0.48210659  0.24112074  1.0
  Cl  Cl17  1  0.00000000  0.51789341  0.75887926  1.0
  Cl  Cl18  1  0.00000000  0.98210659  0.25887926  1.0
  Cl  Cl19  1  0.00000000  0.01789341  0.74112074  1.0
  Cl  Cl20  1  0.00000000  0.24046695  0.43317920  1.0
  Cl  Cl21  1  0.00000000  0.75953305  0.56682080  1.0