# generated using pymatgen
data_Th4Mg2CuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70116938
_cell_length_b   7.70116938
_cell_length_c   3.67661174
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.36810716
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Mg2CuNi3
_chemical_formula_sum   'Th4 Mg2 Cu1 Ni3'
_cell_volume   218.03926459
_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
  Th  Th0  1  0.33878059  0.83878059  0.50000000  1.0
  Th  Th1  1  0.81487742  0.67018710  0.50000000  1.0
  Th  Th2  1  0.17018710  0.31487742  0.50000000  1.0
  Th  Th3  1  0.67728262  0.17728262  0.50000000  1.0
  Mg  Mg4  1  0.49278886  0.49916275  0.00000000  1.0
  Mg  Mg5  1  0.99916275  0.99278886  0.00000000  1.0
  Cu  Cu6  1  0.12491839  0.62491839  0.00000000  1.0
  Ni  Ni7  1  0.62877198  0.87523140  0.00000000  1.0
  Ni  Ni8  1  0.87799889  0.37799889  0.00000000  1.0
  Ni  Ni9  1  0.37523140  0.12877198  0.00000000  1.0