data_[Ho2Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8128]
_cell_length_b [9.2012]
_cell_length_c [6.7797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoSiSe4]
_chemical_formula_sum '[Ho2 Si2 Se8]'
_cell_volume [335.6050]
_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  0.3957  0.2500  0.3495  1
  Si  Si1  2  0.1924  0.7500  0.0615  1
  Se  Se2  4  0.4409  0.5680  0.2699  1
  Se  Se3  2  0.1187  0.7500  0.7056  1
  Se  Se4  2  0.1733  0.2500  0.8918  1
]