# generated using pymatgen
data_ThSiNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00080797
_cell_length_b   4.00080797
_cell_length_c   9.46788970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiNi2P
_chemical_formula_sum   'Th2 Si2 Ni4 P2'
_cell_volume   151.54743956
_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  0.75547530  1.0
  Th  Th1  1  0.50000000  0.00000000  0.24452470  1.0
  Si  Si2  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.37362228  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.62637772  1.0
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  P  P8  1  0.50000000  0.00000000  0.87370904  1.0
  P  P9  1  0.00000000  0.50000000  0.12629096  1.0