data_[Rb2Er2Ti2S8]
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
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5923]
_cell_length_b [6.8148]
_cell_length_c [9.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbErTiS4]
_chemical_formula_sum '[Rb2 Er2 Ti2 S8]'
_cell_volume [390.1231]
_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  2  0.2643  0.2500  0.0586  1.0
  Er  Er1  2  0.2074  0.2500  0.5447  1.0
  Ti  Ti2  2  0.2416  0.7500  0.3386  1.0
  S  S3  4  0.0006  0.5014  0.6942  1.0
  S  S4  2  0.4486  0.7500  0.1856  1.0
  S  S5  2  0.4599  0.7500  0.5779  1.0
]