# generated using pymatgen
data_Mg3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31400941
_cell_length_b   6.31396724
_cell_length_c   5.17040739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00086213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Tl
_chemical_formula_sum   'Mg6 Tl2'
_cell_volume   178.50861130
_cell_formula_units_Z   2
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  0.16590272  0.33197332  0.25000000  1.0
  Mg  Mg1  1  0.16603612  0.83393832  0.25000000  1.0
  Mg  Mg2  1  0.66793570  0.83389988  0.25000000  1.0
  Mg  Mg3  1  0.33204712  0.16609965  0.74999900  1.0
  Mg  Mg4  1  0.83397883  0.16605887  0.74999900  1.0
  Mg  Mg5  1  0.83409400  0.66800778  0.74999900  1.0
  Tl  Tl6  1  0.66658318  0.33329241  0.25000000  1.0
  Tl  Tl7  1  0.33342633  0.66672577  0.74999900  1.0