data_[Rb1Ta1Sb1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3236]
_cell_length_b [6.7855]
_cell_length_c [7.3600]
_cell_angle_alpha [87.6052]
_cell_angle_beta [85.1933]
_cell_angle_gamma [67.2382]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTaSbS6]
_chemical_formula_sum '[Rb1 Ta1 Sb1 S6]'
_cell_volume [290.1740]
_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
[
  Rb  Rb0  1  0.0135  0.0197  0.0033  1.0
  Ta  Ta1  1  0.3267  0.3009  0.5364  1.0
  Sb  Sb2  1  0.5951  0.7230  0.5270  1.0
  S  S3  1  0.2545  0.5036  0.2390  1.0
  S  S4  1  0.3074  0.6218  0.6986  1.0
  S  S5  1  0.4007  0.0153  0.3119  1.0
  S  S6  1  0.5530  0.0354  0.7370  1.0
  S  S7  1  0.5899  0.4137  0.2981  1.0
  S  S8  1  0.9591  0.3665  0.6487  1.0
]