data_CsErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   8.38
_cell_length_c   8.38
_cell_angle_alpha   28.09
_cell_angle_beta   28.09
_cell_angle_gamma   28.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsErS2
_chemical_formula_sum   'Cs1 Er1 S2'
_cell_volume   115.34
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Er  Er1  1  0.0  0.0  0.07  1.0
  S  S2  1  0.0  0.0  0.66  1.0
  S  S3  1  0.0  0.0  0.48  1.0

data_CsErS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   4.07
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CsErS2
_chemical_formula_sum   'Cs2 Er2 S4'
_cell_volume   230.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Er  Er1  2  0.0  0.0  0.93  1.0
  S  S2  2  0.0  0.0  0.34  1.0
  S  S3  2  0.0  0.0  0.52  1.0

Cs Er S S
Cs Er S S 0 1 o o o 2 3 o o o 