data_[In2Hg3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.3981]
_cell_length_b [5.5516]
_cell_length_c [20.6762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2Hg3As4]
_chemical_formula_sum '[In2 Hg3 As4]'
_cell_volume [734.4111]
_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
[
  In  In0  1  0.6727  0.0000  0.5366  1
  In  In1  1  0.9827  0.5000  0.4632  1
  Hg  Hg2  2  0.4455  0.2494  0.3589  1
  Hg  Hg3  1  0.2601  0.0000  0.4988  1
  As  As4  2  0.8490  0.2780  0.6334  1
  As  As5  1  0.1516  0.5000  0.5895  1
  As  As6  1  0.8973  0.0000  0.4274  1
]