data_Mg2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   141.91
_cell_angle_beta   124.85
_cell_angle_gamma   68.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlZn
_chemical_formula_sum   'Mg2 Tl1 Zn1'
_cell_volume   87.56
_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  0.59  0.44  1.0
  Mg  Mg1  1  0.83  0.0  0.18  1.0
  Tl  Tl2  1  0.0  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Mg2TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.19
_cell_length_c   5.6
_cell_angle_alpha   117.57
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlZn
_chemical_formula_sum   'Mg2 Tl1 Zn1'
_cell_volume   87.56
_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  0.18  0.35  1.0
  Mg  Mg1  1  0.41  0.85  0.85  1.0
  Tl  Tl2  1  0.0  0.62  0.62  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Mg Mg Tl Zn
Mg Mg Tl Zn 0 2 o + o 0 3 o + + 0 3 o o o 1 3 + o o 1 2 + o o 2 3 o o + 