data_TlCo2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.54
_cell_angle_alpha   109.22
_cell_angle_beta   109.22
_cell_angle_gamma   30.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Hg
_chemical_formula_sum   'Tl1 Co2 Hg1'
_cell_volume   70.4
_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  Tl3  1  0.73  0.0  0.9  1.0
  Co  Co0  1  0.01  0.0  0.21  1.0
  Co  Co1  1  0.01  0.0  0.24  1.0
  Hg  Hg2  1  0.89  0.0  0.31  1.0

data_TlCo2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.54
_cell_length_c   5.7
_cell_angle_alpha   109.22
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Hg
_chemical_formula_sum   'Tl1 Co2 Hg1'
_cell_volume   70.4
_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  0.9  0.73  1.0
  Co  Co1  1  0.0  0.21  0.01  1.0
  Co  Co2  1  0.0  0.24  0.01  1.0
  Hg  Hg3  1  0.0  0.31  0.89  1.0

Tl Co Co Hg