# generated using pymatgen
data_Th2MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62856519
_cell_length_b   7.62856519
_cell_length_c   3.67649872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2MgNi2
_chemical_formula_sum   'Th4 Mg2 Ni4'
_cell_volume   213.95386767
_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  0.32770443  0.82770443  0.50000000  1.0
  Th  Th1  1  0.82770443  0.67229557  0.50000000  1.0
  Th  Th2  1  0.17229557  0.32770443  0.50000000  1.0
  Th  Th3  1  0.67229557  0.17229557  0.50000000  1.0
  Mg  Mg4  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg5  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni6  1  0.12701276  0.62701276  0.00000000  1.0
  Ni  Ni7  1  0.62701276  0.87298724  0.00000000  1.0
  Ni  Ni8  1  0.87298724  0.37298724  0.00000000  1.0
  Ni  Ni9  1  0.37298724  0.12701276  0.00000000  1.0