data_[Ho4Mn4Sn8Se20]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0816]
_cell_length_b [18.5882]
_cell_length_c [13.2324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoMnSn2Se5]
_chemical_formula_sum '[Ho4 Mn4 Sn8 Se20]'
_cell_volume [1003.9333]
_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  0.1946  0.0294  1.0
  Mn  Mn1  4  0.0000  0.4345  0.4125  1.0
  Sn  Sn2  4  0.0000  0.0899  0.3546  1.0
  Sn  Sn3  4  0.0000  0.1603  0.6767  1.0
  Se  Se4  4  0.0000  0.0322  0.0054  1.0
  Se  Se5  4  0.0000  0.3077  0.3762  1.0
  Se  Se6  4  0.0000  0.3084  0.6773  1.0
  Se  Se7  4  0.0000  0.3445  0.0283  1.0
  Se  Se8  4  0.0000  0.4913  0.7636  1.0
]