data_CrHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   139.07
_cell_angle_beta   139.07
_cell_angle_gamma   59.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgSb2
_chemical_formula_sum   'Cr1 Hg1 Sb2'
_cell_volume   94.87
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.12  0.0  0.64  1.0
  Sb  Sb2  1  0.0  0.0  0.27  1.0
  Sb  Sb3  1  0.0  0.12  0.64  1.0

data_CrHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.07
_cell_angle_alpha   110.46
_cell_angle_beta   110.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgSb2
_chemical_formula_sum   'Cr1 Hg1 Sb2'
_cell_volume   94.87
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.36  0.0  0.48  1.0
  Sb  Sb2  1  0.48  0.12  0.48  1.0
  Sb  Sb3  1  0.73  0.0  0.73  1.0

Cr Hg Sb Sb