data_[Er16Tm4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7780]
_cell_length_b [12.7208]
_cell_length_c [19.6356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er4TmS6]
_chemical_formula_sum '[Er16 Tm4 S24]'
_cell_volume [943.6591]
_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  8  0.0000  0.1388  0.0397  1
  Er  Er1  8  0.0000  0.4088  0.1278  1
  Tm  Tm2  4  0.0000  0.3490  0.7500  1
  S  S3  8  0.0000  0.0515  0.1675  1
  S  S4  8  0.0000  0.2302  0.5887  1
  S  S5  4  0.0000  0.3050  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]