data_Mg3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tl
_chemical_formula_sum   'Mg12 Tl4'
_cell_volume   371.29
_cell_formula_units_Z   4
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  0.41  0.76  0.28  1.0
  Mg  Mg1  1  0.41  0.76  0.0  1.0
  Mg  Mg2  1  0.59  0.76  0.28  1.0
  Mg  Mg3  1  0.19  0.0  0.28  1.0
  Mg  Mg4  1  0.19  0.0  0.0  1.0
  Mg  Mg5  1  0.59  0.76  0.0  1.0
  Mg  Mg6  1  0.58  0.59  0.92  1.0
  Mg  Mg7  1  0.6  0.93  0.64  1.0
  Mg  Mg8  1  0.42  0.59  0.92  1.0
  Mg  Mg9  1  0.0  0.85  0.92  1.0
  Mg  Mg10  1  0.19  0.67  0.64  1.0
  Mg  Mg11  1  0.77  0.93  0.64  1.0
  Tl  Tl12  1  0.0  0.0  0.28  1.0
  Tl  Tl13  1  0.0  0.0  0.0  1.0
  Tl  Tl14  1  0.19  0.84  0.92  1.0
  Tl  Tl15  1  0.0  0.68  0.64  1.0

data_Mg3Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tl
_chemical_formula_sum   'Mg12 Tl4'
_cell_volume   371.29
_cell_formula_units_Z   4
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  0.85  0.92  1.0
  Mg  Mg1  1  0.19  0.0  0.0  1.0
  Mg  Mg2  1  0.19  0.0  0.28  1.0
  Mg  Mg3  1  0.19  0.67  0.64  1.0
  Mg  Mg4  1  0.41  0.76  0.0  1.0
  Mg  Mg5  1  0.41  0.76  0.28  1.0
  Mg  Mg6  1  0.42  0.59  0.92  1.0
  Mg  Mg7  1  0.58  0.59  0.92  1.0
  Mg  Mg8  1  0.59  0.76  0.0  1.0
  Mg  Mg9  1  0.59  0.76  0.28  1.0
  Mg  Mg10  1  0.6  0.93  0.64  1.0
  Mg  Mg11  1  0.77  0.93  0.64  1.0
  Tl  Tl12  1  0.0  0.0  0.0  1.0
  Tl  Tl13  1  0.0  0.0  0.28  1.0
  Tl  Tl14  1  0.0  0.68  0.64  1.0
  Tl  Tl15  1  0.19  0.84  0.92  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Tl Tl Tl Tl