# generated using pymatgen
data_LuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60687442
_cell_length_b   3.60687442
_cell_length_c   9.87174900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuBr
_chemical_formula_sum   'Lu2 Br2'
_cell_volume   111.22098742
_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  0.66666700  0.33333300  0.83099000  1.0
  Lu  Lu1  1  0.33333300  0.66666700  0.33099000  1.0
  Br  Br2  1  0.66666700  0.33333300  0.54401100  1.0
  Br  Br3  1  0.33333300  0.66666700  0.04401100  1.0