data_[Er8Cd2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6198]
_cell_length_b [3.7988]
_cell_length_c [11.5539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er4CdS7]
_chemical_formula_sum '[Er8 Cd2 S14]'
_cell_volume [533.9903]
_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
[
  Er  Er0  2  0.1850  0.5000  0.7903  1.0
  Er  Er1  2  0.2985  0.0000  0.1892  1.0
  Er  Er2  2  0.3902  0.5000  0.5732  1.0
  Er  Er3  2  0.4928  0.5000  0.0019  1.0
  Cd  Cd4  2  0.1170  0.0000  0.4178  1.0
  S  S5  2  0.0233  0.5000  0.5315  1.0
  S  S6  2  0.0363  0.0000  0.7890  1.0
  S  S7  2  0.1529  0.5000  0.0478  1.0
  S  S8  2  0.2480  0.5000  0.3502  1.0
  S  S9  2  0.2653  0.0000  0.6461  1.0
  S  S10  2  0.3337  0.0000  0.9454  1.0
  S  S11  2  0.4570  0.5000  0.2178  1.0
]