# generated using pymatgen
data_La2Re2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21210483
_cell_length_b   4.21210437
_cell_length_c   17.98712683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Re2Br
_chemical_formula_sum   'La4 Re4 Br2'
_cell_volume   276.36992196
_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
  La  La0  1  0.00000000  0.00000000  0.11872341  1.0
  La  La1  1  0.00000000  0.00000000  0.38127659  1.0
  La  La2  1  0.00000000  0.00000000  0.61872341  1.0
  La  La3  1  0.00000000  0.00000000  0.88127759  1.0
  Re  Re4  1  0.66666600  0.33333200  0.01452302  1.0
  Re  Re5  1  0.33333400  0.66666700  0.98547698  1.0
  Re  Re6  1  0.66666600  0.33333200  0.48547698  1.0
  Re  Re7  1  0.33333400  0.66666700  0.51452302  1.0
  Br  Br8  1  0.33333400  0.66666700  0.25000000  1.0
  Br  Br9  1  0.66666600  0.33333200  0.75000000  1.0