data_[Er12S16Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.6387]
_cell_length_b [6.8437]
_cell_length_c [9.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er3S4Cl]
_chemical_formula_sum '[Er12 S16 Cl4]'
_cell_volume [837.0191]
_cell_formula_units_Z [4]
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  4  0.0815  0.0113  0.7024  1
  Er  Er1  4  0.2125  0.4941  0.9189  1
  Er  Er2  4  0.3156  0.0086  0.1172  1
  S  S3  4  0.1192  0.1687  0.9723  1
  S  S4  4  0.1984  0.3053  0.6595  1
  S  S5  4  0.2790  0.1627  0.3541  1
  S  S6  4  0.3946  0.3381  0.0649  1
  Cl  Cl7  4  0.0093  0.3440  0.2608  1
]