data_[Ho4Cu2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5166]
_cell_length_b [3.6595]
_cell_length_c [9.3587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4Cu2Hg5]
_chemical_formula_sum '[Ho4 Cu2 Hg5]'
_cell_volume [257.1038]
_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  0.1819  0.5000  0.8524  1.0
  Ho  Ho1  2  0.2330  0.5000  0.4310  1.0
  Cu  Cu2  2  0.0640  0.0000  0.6266  1.0
  Hg  Hg3  2  0.1602  0.0000  0.1440  1.0
  Hg  Hg4  2  0.4405  0.0000  0.6694  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]