data_[Cs2Er2Zn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3469]
_cell_length_b [4.0127]
_cell_length_c [9.9085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsErZnS3]
_chemical_formula_sum '[Cs2 Er2 Zn2 S6]'
_cell_volume [344.6912]
_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
[
  Cs  Cs0  2  0.2175  0.2500  0.2424  1.0
  Er  Er1  2  0.3331  0.7500  0.8622  1.0
  Zn  Zn2  2  0.0834  0.2500  0.6115  1.0
  S  S3  2  0.1288  0.2500  0.8561  1.0
  S  S4  2  0.1876  0.7500  0.5467  1.0
  S  S5  2  0.4769  0.7500  0.1507  1.0
]