data_[In4Ni2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.5047]
_cell_length_b [4.5048]
_cell_length_c [8.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2NiHg]
_chemical_formula_sum '[In4 Ni2 Hg2]'
_cell_volume [175.6432]
_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
[
  In  In0  4  0.0535  0.0000  0.1784  1.0
  Ni  Ni1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
]