data_[Ho12Mn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5417]
_cell_length_b [13.1640]
_cell_length_c [6.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3MnS6]
_chemical_formula_sum '[Ho12 Mn4 S24]'
_cell_volume [902.6826]
_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  8  0.1827  0.0990  0.0196  1.0
  Ho  Ho1  4  0.0000  0.4008  0.1053  1.0
  Mn  Mn2  4  0.0000  0.2001  0.4799  1.0
  S  S3  8  0.1627  0.4712  0.8130  1.0
  S  S4  8  0.1655  0.2658  0.3021  1.0
  S  S5  4  0.0000  0.0395  0.3272  1.0
  S  S6  4  0.0000  0.2199  0.8329  1.0
]