# generated using pymatgen
data_Lu4BCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72853242
_cell_length_b   12.25310209
_cell_length_c   12.65938057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4BCl6
_chemical_formula_sum   'Lu8 B2 Cl12'
_cell_volume   578.35757912
_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
  Lu  Lu0  1  0.00000000  0.10499330  0.08372603  1.0
  Lu  Lu1  1  0.00000000  0.89500670  0.91627397  1.0
  Lu  Lu2  1  0.00000000  0.60499330  0.41627397  1.0
  Lu  Lu3  1  0.00000000  0.39500670  0.58372603  1.0
  Lu  Lu4  1  0.50000000  0.12600618  0.85194150  1.0
  Lu  Lu5  1  0.50000000  0.87399382  0.14805850  1.0
  Lu  Lu6  1  0.50000000  0.62600618  0.64805850  1.0
  Lu  Lu7  1  0.50000000  0.37399382  0.35194150  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  0.26784993  0.68373024  1.0
  Cl  Cl11  1  0.50000000  0.73215007  0.31626976  1.0
  Cl  Cl12  1  0.50000000  0.76784993  0.81626976  1.0
  Cl  Cl13  1  0.50000000  0.23215007  0.18373024  1.0
  Cl  Cl14  1  0.00000000  0.25868819  0.92939123  1.0
  Cl  Cl15  1  0.00000000  0.74131181  0.07060877  1.0
  Cl  Cl16  1  0.00000000  0.47799609  0.24081240  1.0
  Cl  Cl17  1  0.00000000  0.52200391  0.75918760  1.0
  Cl  Cl18  1  0.00000000  0.97799609  0.25918760  1.0
  Cl  Cl19  1  0.00000000  0.02200391  0.74081240  1.0
  Cl  Cl20  1  0.00000000  0.24131181  0.42939123  1.0
  Cl  Cl21  1  0.00000000  0.75868819  0.57060877  1.0