data_[Ho4Hg1Bi2Se1]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2267]
_cell_length_b [4.2983]
_cell_length_c [7.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4HgBi2Se]
_chemical_formula_sum '[Ho4 Hg1 Bi2 Se1]'
_cell_volume [227.8699]
_cell_formula_units_Z [1]
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  0.2348  0.5000  0.2554  1.0
  Ho  Ho1  2  0.2353  0.0000  0.7393  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]