data_[Ho4Cu4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [10.2515]
_cell_length_b [12.9699]
_cell_length_c [3.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [HoCuSnS3]
_chemical_formula_sum '[Ho4 Cu4 Sn4 S12]'
_cell_volume [528.7884]
_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
[
  Ho  Ho0  4  0.0000  0.0000  0.5298  1.0
  Cu  Cu1  4  0.2500  0.0272  0.0020  1.0
  Sn  Sn2  4  0.2500  0.2432  0.3866  1.0
  S  S3  8  0.0664  0.1351  0.0309  1.0
  S  S4  4  0.2500  0.4227  0.0190  1.0
]