data_[Ho8Zr4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4906]
_cell_length_b [13.4863]
_cell_length_c [13.3268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho2ZrSe5]
_chemical_formula_sum '[Ho8 Zr4 Se20]'
_cell_volume [986.8181]
_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  8  0.0000  0.1490  0.5591  1.0
  Zr  Zr1  4  0.0000  0.1944  0.2500  1.0
  Se  Se2  8  0.0000  0.0480  0.1230  1.0
  Se  Se3  8  0.0000  0.3161  0.0801  1.0
  Se  Se4  4  0.0000  0.2601  0.7500  1.0
]