data_[Na3In2Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8967]
_cell_length_b [4.5727]
_cell_length_c [15.6915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na3In2Hg7]
_chemical_formula_sum '[Na3 In2 Hg7]'
_cell_volume [349.7328]
_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
[
  Na  Na0  2  0.1824  0.0000  0.3732  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  In  In2  2  0.3848  0.5000  0.7357  1.0
  Hg  Hg3  2  0.0644  0.5000  0.1503  1.0
  Hg  Hg4  2  0.2634  0.5000  0.5505  1.0
  Hg  Hg5  2  0.4558  0.0000  0.8566  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]