data_[Er16Sn4As4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9877]
_cell_length_b [8.2007]
_cell_length_c [11.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Er4SnAsS2]
_chemical_formula_sum '[Er16 Sn4 As4 S8]'
_cell_volume [755.3289]
_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  0.0162  0.2484  1.0
  Er  Er1  8  0.2484  0.2500  0.0057  1.0
  Sn  Sn2  4  0.2500  0.2500  0.7500  1.0
  As  As3  4  0.0000  0.0000  0.5000  1.0
  S  S4  4  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.2500  0.2500  0.2500  1.0
]