data_[Y5Cu1Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6746]
_cell_length_b [3.6746]
_cell_length_c [18.5453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y5CuHg4]
_chemical_formula_sum '[Y5 Cu1 Hg4]'
_cell_volume [250.4058]
_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
[
  Y  Y0  2  0.5000  0.5000  0.0886  1.0
  Y  Y1  2  0.5000  0.5000  0.2949  1.0
  Y  Y2  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.1932  1.0
  Hg  Hg5  2  0.0000  0.0000  0.3981  1.0
]