# generated using pymatgen
data_ThMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04789768
_cell_length_b   6.04789721
_cell_length_c   6.04789669
_cell_angle_alpha   59.99999150
_cell_angle_beta   59.99999413
_cell_angle_gamma   59.99999674
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMg2
_chemical_formula_sum   'Th2 Mg4'
_cell_volume   156.42211180
_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
  Th  Th0  1  0.87500000  0.87500000  0.87500000  1.0
  Th  Th1  1  0.12500000  0.12500000  0.12500000  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg3  1  0.50000000  0.50000000  -0.00000000  1.0
  Mg  Mg4  1  -0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg5  1  0.50000000  0.00000000  0.50000000  1.0