data_[Sr4Er8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9492]
_cell_length_b [3.9624]
_cell_length_c [14.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr(ErS2)2]
_chemical_formula_sum '[Sr4 Er8 S16]'
_cell_volume [674.8532]
_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
[
  Sr  Sr0  4  0.2429  0.7500  0.1621  1
  Er  Er1  4  0.0685  0.7500  0.3901  1
  Er  Er2  4  0.0794  0.7500  0.8990  1
  S  S3  4  0.0216  0.2500  0.7839  1
  S  S4  4  0.0844  0.7500  0.5789  1
  S  S5  4  0.1301  0.2500  0.0261  1
  S  S6  4  0.2082  0.2500  0.3271  1
]