data_[Ho2Sn6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7251]
_cell_length_b [4.0434]
_cell_length_c [12.4829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho(SnSe2)3]
_chemical_formula_sum '[Ho2 Sn6 Se12]'
_cell_volume [550.0043]
_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  0.2930  0.2500  0.9529  1.0
  Sn  Sn1  2  0.1119  0.7500  0.1662  1.0
  Sn  Sn2  2  0.1584  0.2500  0.5510  1.0
  Sn  Sn3  2  0.4610  0.7500  0.7269  1.0
  Se  Se4  2  0.0864  0.7500  0.3886  1.0
  Se  Se5  2  0.1032  0.7500  0.9381  1.0
  Se  Se6  2  0.2507  0.7500  0.7678  1.0
  Se  Se7  2  0.2851  0.2500  0.1937  1.0
  Se  Se8  2  0.4086  0.2500  0.5678  1.0
  Se  Se9  2  0.4758  0.7500  0.0920  1.0
]