data_[Rb4Cu4Te4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5233]
_cell_length_b [10.6327]
_cell_length_c [8.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbCuTeS3]
_chemical_formula_sum '[Rb4 Cu4 Te4 S12]'
_cell_volume [633.1508]
_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  0.4739  0.2369  0.1156  1
  Cu  Cu1  4  0.0833  0.7497  0.0207  1
  Te  Te2  4  0.0642  0.5021  0.7673  1
  S  S3  4  0.1045  0.2261  0.2749  1
  S  S4  4  0.2532  0.5642  0.0398  1
  S  S5  4  0.2557  0.5660  0.5906  1
]