data_[Ho4Cu4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3502]
_cell_length_b [6.9918]
_cell_length_c [6.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HoCuS2]
_chemical_formula_sum '[Ho4 Cu4 S8]'
_cell_volume [297.2059]
_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  0.1938  0.0473  0.8005  1.0
  Cu  Cu1  4  0.4187  0.6617  0.9513  1.0
  S  S2  4  0.0718  0.7269  0.9972  1.0
  S  S3  4  0.4075  0.1133  0.2183  1.0
]