data_[Sr4Ho4Cu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9306]
_cell_length_b [13.0514]
_cell_length_c [10.1866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrHoCuS3]
_chemical_formula_sum '[Sr4 Ho4 Cu4 S12]'
_cell_volume [522.5705]
_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  0.0000  0.2509  0.2500  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4729  0.7500  1.0
  S  S3  8  0.0000  0.3642  0.5685  1.0
  S  S4  4  0.0000  0.0763  0.7500  1.0
]