data_[Sr4Cu8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2534]
_cell_length_b [3.9256]
_cell_length_c [10.1172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr(CuS)2]
_chemical_formula_sum '[Sr4 Cu8 S8]'
_cell_volume [367.5039]
_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  0.2472  0.2500  0.3175  1
  Cu  Cu1  4  0.0574  0.2500  0.6027  1
  Cu  Cu2  4  0.0767  0.2500  0.0457  1
  S  S3  4  0.0192  0.7500  0.1765  1
  S  S4  4  0.1692  0.7500  0.5316  1
]