data_Cr2FeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   143.61
_cell_angle_beta   130.8
_cell_angle_gamma   62.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeHg
_chemical_formula_sum   'Cr2 Fe1 Hg1'
_cell_volume   55.02
_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  0.56  0.0  0.98  1.0
  Cr  Cr1  1  0.0  0.08  0.27  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.26  1.0

data_Cr2FeHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.15
_cell_length_c   4.99
_cell_angle_alpha   114.6
_cell_angle_beta   108.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeHg
_chemical_formula_sum   'Cr2 Fe1 Hg1'
_cell_volume   55.02
_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  0.57  0.02  0.57  1.0
  Cr  Cr1  1  0.73  0.8  0.8  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.74  0.74  0.74  1.0

Cr Cr Fe Hg