data_[Sn2Hg4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.8450]
_cell_length_b [7.3843]
_cell_length_c [18.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sn(HgAs)2]
_chemical_formula_sum '[Sn2 Hg4 As4]'
_cell_volume [1190.5754]
_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
[
  Sn  Sn0  1  0.3487  0.5000  0.4480  1
  Sn  Sn1  1  0.4691  0.0000  0.5984  1
  Hg  Hg2  2  0.7172  0.1941  0.5028  1
  Hg  Hg3  1  0.0101  0.5000  0.4213  1
  Hg  Hg4  1  0.9995  0.0000  0.5521  1
  As  As5  2  0.2567  0.2329  0.5423  1
  As  As6  1  0.3447  0.0000  0.4563  1
  As  As7  1  0.6775  0.5000  0.4335  1
]