# generated using pymatgen
data_ThMgPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00591680
_cell_length_b   4.00591680
_cell_length_c   11.34775288
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMgPRu2
_chemical_formula_sum   'Th2 Mg2 P2 Ru4'
_cell_volume   182.10158212
_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  0.00000000  0.50000000  0.75760811  1.0
  Th  Th1  1  0.50000000  0.00000000  0.24239189  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.50000000  1.0
  P  P4  1  0.50000000  0.00000000  0.89445460  1.0
  P  P5  1  0.00000000  0.50000000  0.10554540  1.0
  Ru  Ru6  1  0.00000000  0.50000000  0.31296079  1.0
  Ru  Ru7  1  0.50000000  0.00000000  0.68703921  1.0
  Ru  Ru8  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru9  1  0.00000000  0.00000000  0.00000000  1.0