# generated using pymatgen
data_Th4SiNi2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07346181
_cell_length_b   4.07346238
_cell_length_c   14.85350570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4SiNi2P3
_chemical_formula_sum   'Th4 Si1 Ni2 P3'
_cell_volume   213.44543585
_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  0.33333300  0.66666700  0.38334745  1.0
  Th  Th1  1  0.66666700  0.33333300  0.61593678  1.0
  Th  Th2  1  0.66666700  0.33333300  0.88406322  1.0
  Th  Th3  1  0.33333300  0.66666700  0.11665255  1.0
  Si  Si4  1  0.33333300  0.66666700  0.75000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.25000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.75000000  1.0
  P  P7  1  0.00000000  0.00000000  0.49811691  1.0
  P  P8  1  0.00000000  0.00000000  0.00188309  1.0
  P  P9  1  0.66666700  0.33333300  0.25000000  1.0