data_[Rb6Ta2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.3594]
_cell_length_b [10.3047]
_cell_length_c [7.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb3TaS4]
_chemical_formula_sum '[Rb6 Ta2 S8]'
_cell_volume [602.6390]
_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
[
  Rb  Rb0  4  0.0000  0.2347  0.4400  1
  Rb  Rb1  2  0.0000  0.0000  0.9801  1
  Ta  Ta2  2  0.0000  0.5000  0.9946  1
  S  S3  4  0.0000  0.3147  0.8345  1
  S  S4  4  0.2492  0.5000  0.1626  1
]