data_Tl2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   5.2
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   98.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrHg
_chemical_formula_sum   'Tl2 Cr1 Hg1'
_cell_volume   90.25
_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
  Tl  Tl2  1  0.27  0.0  0.4  1.0
  Tl  Tl3  1  0.0  0.6  0.49  1.0
  Cr  Cr0  1  0.14  0.0  0.74  1.0
  Hg  Hg1  1  0.38  0.6  0.03  1.0

data_Tl2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.2
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   98.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrHg
_chemical_formula_sum   'Tl2 Cr1 Hg1'
_cell_volume   90.25
_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
  Tl  Tl0  1  0.0  0.6  0.49  1.0
  Tl  Tl1  1  0.27  0.0  0.4  1.0
  Cr  Cr2  1  0.14  0.0  0.74  1.0
  Hg  Hg3  1  0.38  0.6  0.03  1.0

Tl Tl Cr Hg