# generated using pymatgen
data_Lu4BBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84264564
_cell_length_b   12.76102709
_cell_length_c   13.18623870
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4BBr6
_chemical_formula_sum   'Lu8 B2 Br12'
_cell_volume   646.60178621
_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  0.10022346  0.08030914  1.0
  Lu  Lu1  1  0.00000000  0.89977654  0.91969086  1.0
  Lu  Lu2  1  0.00000000  0.60022346  0.41969086  1.0
  Lu  Lu3  1  0.00000000  0.39977654  0.58030914  1.0
  Lu  Lu4  1  0.50000000  0.12238990  0.85681705  1.0
  Lu  Lu5  1  0.50000000  0.87761010  0.14318295  1.0
  Lu  Lu6  1  0.50000000  0.62238990  0.64318295  1.0
  Lu  Lu7  1  0.50000000  0.37761010  0.35681705  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  0.26823170  0.68331464  1.0
  Br  Br11  1  0.50000000  0.73176830  0.31668536  1.0
  Br  Br12  1  0.50000000  0.76823170  0.81668536  1.0
  Br  Br13  1  0.50000000  0.23176830  0.18331464  1.0
  Br  Br14  1  0.00000000  0.26289748  0.93156680  1.0
  Br  Br15  1  0.00000000  0.73710252  0.06843320  1.0
  Br  Br16  1  0.00000000  0.47979756  0.23728134  1.0
  Br  Br17  1  0.00000000  0.52020244  0.76271866  1.0
  Br  Br18  1  0.00000000  0.97979756  0.26271866  1.0
  Br  Br19  1  0.00000000  0.02020244  0.73728134  1.0
  Br  Br20  1  0.00000000  0.23710252  0.43156680  1.0
  Br  Br21  1  0.00000000  0.76289748  0.56843320  1.0