data_[Ho8H4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7499]
_cell_length_b [10.0787]
_cell_length_c [10.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho2HSe2]
_chemical_formula_sum '[Ho8 H4 Se8]'
_cell_volume [408.1779]
_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  0.0436  0.8835  1
  Ho  Ho1  4  0.0000  0.2345  0.1367  1
  H  H2  4  0.0000  0.3591  0.5004  1
  Se  Se3  4  0.0000  0.0567  0.6255  1
  Se  Se4  4  0.0000  0.3257  0.8392  1
]