data_[Ho8Zn2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8843]
_cell_length_b [6.4905]
_cell_length_c [8.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho4ZnSe]
_chemical_formula_sum '[Ho8 Zn2 Se2]'
_cell_volume [306.7254]
_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  0.1383  0.5044  0.2962  1
  Ho  Ho1  2  0.3748  0.7500  0.6535  1
  Ho  Ho2  2  0.3755  0.2500  0.9385  1
  Zn  Zn3  2  0.2752  0.2500  0.5939  1
  Se  Se4  2  0.1370  0.7500  0.9704  1
]