data_Cr2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   132.48
_cell_angle_beta   132.48
_cell_angle_gamma   69.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SnHg
_chemical_formula_sum   'Cr2 Sn1 Hg1'
_cell_volume   65.9
_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  0.01  0.05  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.09  1.0
  Hg  Hg2  1  0.01  0.0  0.05  1.0

data_Cr2SnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   124.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2SnHg
_chemical_formula_sum   'Cr4 Sn2 Hg2'
_cell_volume   131.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.5  0.5  0.04  1.0
  Sn  Sn2  2  0.0  0.0  0.09  1.0
  Hg  Hg3  2  0.5  0.5  0.04  1.0

Cr Cr Sn Hg
Cr Cr Sn Hg 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 