data_[Ho2Er2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7668]
_cell_length_b [4.3124]
_cell_length_c [7.1907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HoErS4]
_chemical_formula_sum '[Ho2 Er2 S8]'
_cell_volume [270.5523]
_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
[
  Ho  Ho0  2  0.1771  0.0000  0.7214  1
  Er  Er1  2  0.3227  0.5000  0.2786  1
  S  S2  2  0.1079  0.5000  0.9522  1
  S  S3  2  0.1378  0.0000  0.3429  1
  S  S4  2  0.3623  0.5000  0.6556  1
  S  S5  2  0.3923  0.0000  0.0493  1
]