data_Mg2ZrTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.39
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTl
_chemical_formula_sum   'Mg2 Zr1 Tl1'
_cell_volume   91.23
_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  0.61  0.2  0.01  1.0
  Mg  Mg1  1  0.0  0.0  0.58  1.0
  Zr  Zr3  1  0.0  0.0  0.82  1.0
  Tl  Tl2  1  0.61  0.2  0.25  1.0

data_Mg2ZrTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.39
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTl
_chemical_formula_sum   'Mg2 Zr1 Tl1'
_cell_volume   91.23
_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  0.0  0.58  1.0
  Mg  Mg1  1  0.61  0.2  0.01  1.0
  Zr  Zr2  1  0.0  0.0  0.82  1.0
  Tl  Tl3  1  0.61  0.2  0.25  1.0

Mg Mg Zr Tl