data_[Er4S8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8611]
_cell_length_b [3.8693]
_cell_length_c [7.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErS2]
_chemical_formula_sum '[Er4 S8]'
_cell_volume [236.6987]
_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  0.2747  0.2150  0.1292  1.0
  S  S1  4  0.0031  0.6662  0.1121  1.0
  S  S2  4  0.3696  0.7396  0.3748  1.0
]