data_Mg2TlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.23
_cell_angle_alpha   92.42
_cell_angle_beta   92.42
_cell_angle_gamma   32.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCl
_chemical_formula_sum   'Mg2 Tl1 Cl1'
_cell_volume   100.81
_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
  Mg  Mg1  1  0.32  0.0  0.46  1.0
  Mg  Mg2  1  0.68  0.0  0.79  1.0
  Tl  Tl3  1  0.75  0.0  0.04  1.0
  Cl  Cl0  1  0.74  0.0  0.55  1.0

data_Mg2TlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.23
_cell_length_c   6.0
_cell_angle_alpha   92.42
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCl
_chemical_formula_sum   'Mg2 Tl1 Cl1'
_cell_volume   100.81
_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
  Mg  Mg0  1  0.0  0.46  0.32  1.0
  Mg  Mg1  1  0.0  0.79  0.68  1.0
  Tl  Tl2  1  0.0  0.04  0.75  1.0
  Cl  Cl3  1  0.0  0.55  0.74  1.0

Mg Mg Tl Cl