# generated using pymatgen
data_La4As3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75738696
_cell_length_b   4.36122063
_cell_length_c   6.16956729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00459727
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4As3Br
_chemical_formula_sum   'La4 As3 Br1'
_cell_volume   235.63364505
_cell_formula_units_Z   1
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  0.39378999  0.24999900  0.24998981  1.0
  La  La1  1  0.85614645  0.24999900  0.25001026  1.0
  La  La2  1  0.12507115  0.75000100  0.74991219  1.0
  La  La3  1  0.62502870  0.75000100  0.75004194  1.0
  As  As4  1  0.62489375  0.75000100  0.25017201  1.0
  As  As5  1  0.37005694  0.24999900  0.74999912  1.0
  As  As6  1  0.88006644  0.24999900  0.75003057  1.0
  Br  Br7  1  0.12495058  0.75000100  0.24984710  1.0