# generated using pymatgen
data_Th2Si3Ni14H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27188148
_cell_length_b   6.27188124
_cell_length_c   6.27188202
_cell_angle_alpha   84.18673796
_cell_angle_beta   84.18673173
_cell_angle_gamma   84.18673108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Si3Ni14H3
_chemical_formula_sum   'Th2 Si3 Ni14 H3'
_cell_volume   243.14789875
_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  0.65070798  0.65070798  0.65070798  1.0
  Th  Th1  1  0.34929202  0.34929202  0.34929202  1.0
  Si  Si2  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si3  1  0.50000000  0.00000000  0.00000000  1.0
  Si  Si4  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.71114032  0.28885968  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.71114032  0.28885968  1.0
  Ni  Ni7  1  0.28885968  1.00000000  0.71114032  1.0
  Ni  Ni8  1  1.00000000  0.28885968  0.71114032  1.0
  Ni  Ni9  1  0.71114032  0.00000000  0.28885968  1.0
  Ni  Ni10  1  0.28885968  0.71114032  1.00000000  1.0
  Ni  Ni11  1  0.34093048  0.34093048  0.86114687  1.0
  Ni  Ni12  1  0.86114687  0.34093048  0.34093048  1.0
  Ni  Ni13  1  0.34093048  0.86114687  0.34093048  1.0
  Ni  Ni14  1  0.65906952  0.65906952  0.13885313  1.0
  Ni  Ni15  1  0.13885313  0.65906952  0.65906952  1.0
  Ni  Ni16  1  0.65906952  0.13885313  0.65906952  1.0
  Ni  Ni17  1  0.89976450  0.89976450  0.89976450  1.0
  Ni  Ni18  1  0.10023550  0.10023550  0.10023550  1.0
  H  H19  1  0.50000000  0.50000000  0.00000000  1.0
  H  H20  1  0.00000000  0.50000000  0.50000000  1.0
  H  H21  1  0.50000000  0.00000000  0.50000000  1.0