data_[Rb4Er4Sn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8132]
_cell_length_b [11.7503]
_cell_length_c [8.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Er2SnS6]
_chemical_formula_sum '[Rb4 Er4 Sn2 S12]'
_cell_volume [633.9245]
_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  0.1695  0.0000  1
  Er  Er1  4  0.0000  0.3325  0.5000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2244  0.1605  0.6858  1
  S  S4  4  0.2458  0.5000  0.6833  1
]