data_[Rb4As4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0559]
_cell_length_b [8.9796]
_cell_length_c [10.6530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbAsBr3]
_chemical_formula_sum '[Rb4 As4 Br12]'
_cell_volume [832.2154]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.1287  0.0032  0.7211  1.0
  As  As1  4  0.4973  0.1443  0.4723  1.0
  Br  Br2  4  0.1991  0.1996  0.4426  1.0
  Br  Br3  4  0.2031  0.7129  0.9615  1.0
  Br  Br4  4  0.4712  0.0846  0.2468  1.0
]