data_[Ho8Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5097]
_cell_length_b [4.1446]
_cell_length_c [13.3912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ho4Se7]
_chemical_formula_sum '[Ho8 Se14]'
_cell_volume [583.3035]
_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  4  0.2547  0.0000  0.2965  1
  Ho  Ho1  2  0.0000  0.0000  0.0120  1
  Ho  Ho2  2  0.5000  0.0000  0.0119  1
  Se  Se3  4  0.1184  0.0000  0.6551  1
  Se  Se4  4  0.2504  0.0000  0.9390  1
  Se  Se5  2  0.0000  0.0000  0.3681  1
  Se  Se6  2  0.5000  0.0000  0.3690  1
  Se  Se7  2  0.5000  0.0000  0.6591  1
]