data_[Ho24Hg4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0355]
_cell_length_b [13.3508]
_cell_length_c [20.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho6HgSe4]
_chemical_formula_sum '[Ho24 Hg4 Se16]'
_cell_volume [1111.7138]
_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  0.0484  0.1648  1
  Ho  Ho1  8  0.0000  0.2289  0.5888  1
  Ho  Ho2  4  0.0000  0.3360  0.2500  1
  Ho  Ho3  4  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.0000  0.3351  0.7500  1
  Se  Se5  8  0.0000  0.1392  0.0391  1
  Se  Se6  8  0.0000  0.4113  0.1234  1
]