# generated using pymatgen
data_Ho2Lu2BBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87095443
_cell_length_b   12.87829458
_cell_length_c   13.31032307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Lu2BBr6
_chemical_formula_sum   'Ho4 Lu4 B2 Br12'
_cell_volume   663.53679516
_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  0.12390810  0.85506920  1.0
  Ho  Ho1  1  0.50000000  0.87609190  0.14493080  1.0
  Ho  Ho2  1  0.50000000  0.62390810  0.64493080  1.0
  Ho  Ho3  1  0.50000000  0.37609190  0.35506920  1.0
  Lu  Lu4  1  0.00000000  0.09956379  0.07975199  1.0
  Lu  Lu5  1  0.00000000  0.90043621  0.92024801  1.0
  Lu  Lu6  1  0.00000000  0.59956379  0.42024801  1.0
  Lu  Lu7  1  0.00000000  0.40043621  0.57975199  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.27071553  0.68134944  1.0
  Br  Br11  1  0.50000000  0.72928447  0.31865056  1.0
  Br  Br12  1  0.50000000  0.77071553  0.81865056  1.0
  Br  Br13  1  0.50000000  0.22928447  0.18134944  1.0
  Br  Br14  1  0.00000000  0.26383376  0.93500975  1.0
  Br  Br15  1  0.00000000  0.73616624  0.06499025  1.0
  Br  Br16  1  0.00000000  0.48335606  0.23686371  1.0
  Br  Br17  1  0.00000000  0.51664394  0.76313629  1.0
  Br  Br18  1  0.00000000  0.98335606  0.26313629  1.0
  Br  Br19  1  0.00000000  0.01664394  0.73686371  1.0
  Br  Br20  1  0.00000000  0.23616624  0.43500975  1.0
  Br  Br21  1  0.00000000  0.76383376  0.56499025  1.0