data_[Re1As1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4309]
_cell_length_b [3.2100]
_cell_length_c [6.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReAsBr2]
_chemical_formula_sum '[Re1 As1 Br2]'
_cell_volume [122.3840]
_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
[
  Re  Re0  1  0.3817  0.0000  0.3981  1
  As  As1  1  0.6504  0.5000  0.3719  1
  Br  Br2  1  0.0643  0.0000  0.0260  1
  Br  Br3  1  0.4036  0.5000  0.7041  1
]