data_[Ho8Cr2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3813]
_cell_length_b [3.7831]
_cell_length_c [11.3922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ho4CrS7]
_chemical_formula_sum '[Ho8 Cr2 S14]'
_cell_volume [512.2014]
_cell_formula_units_Z [2]
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  2  0.0081  0.0000  0.0066  1.0
  Ho  Ho1  2  0.1996  0.5000  0.8085  1.0
  Ho  Ho2  2  0.3134  0.0000  0.2216  1.0
  Ho  Ho3  2  0.3817  0.5000  0.5641  1.0
  Cr  Cr4  2  0.1100  0.0000  0.4235  1.0
  S  S5  2  0.0386  0.0000  0.7831  1.0
  S  S6  2  0.1718  0.5000  0.0569  1.0
  S  S7  2  0.2215  0.5000  0.3549  1.0
  S  S8  2  0.2467  0.0000  0.6326  1.0
  S  S9  2  0.3472  0.0000  0.9461  1.0
  S  S10  2  0.4722  0.5000  0.2281  1.0
  S  S11  2  0.4891  0.0000  0.4741  1.0
]