data_[La12Ni2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8297]
_cell_length_b [7.8465]
_cell_length_c [12.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6NiHg2]
_chemical_formula_sum '[La12 Ni2 Hg4]'
_cell_volume [585.0021]
_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
[
  La  La0  4  0.1411  0.2049  0.4573  1.0
  La  La1  4  0.2810  0.6666  0.4556  1.0
  La  La2  4  0.3718  0.0166  0.2554  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.1575  0.0987  0.7314  1.0
]