data_[Y10Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.2224]
_cell_length_b [11.8813]
_cell_length_c [4.9183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Y5NiHg2]
_chemical_formula_sum '[Y10 Ni2 Hg4]'
_cell_volume [422.0436]
_cell_formula_units_Z [2]
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  4  0.1366  0.7949  0.0000  1
  Y  Y1  4  0.1740  0.0872  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0888  0.3438  0.5000  1
]