data_[Hg2Sb4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5432]
_cell_length_b [7.1971]
_cell_length_c [7.4209]
_cell_angle_alpha [68.3006]
_cell_angle_beta [89.0467]
_cell_angle_gamma [89.1051]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgSb2As]
_chemical_formula_sum '[Hg2 Sb4 As2]'
_cell_volume [225.4106]
_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
[
  Hg  Hg0  2  0.2515  0.1055  0.8691  1
  Sb  Sb1  2  0.2102  0.3622  0.1336  1
  Sb  Sb2  2  0.2496  0.6216  0.3846  1
  As  As3  2  0.1849  0.8819  0.6129  1
]