data_[Cr2Hg4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.8148]
_cell_length_b [10.7284]
_cell_length_c [3.2241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrHg2Sb]
_chemical_formula_sum '[Cr2 Hg4 Sb2]'
_cell_volume [189.2421]
_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
[
  Cr  Cr0  2  0.2944  0.5000  0.5906  1
  Hg  Hg1  4  0.2259  0.2821  0.0388  1
  Sb  Sb2  2  0.2507  0.0000  0.3050  1
]