# generated using pymatgen
data_ThNiAsH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06110832
_cell_length_b   8.40627893
_cell_length_c   7.15557633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNiAsH
_chemical_formula_sum   'Th4 Ni4 As4 H4'
_cell_volume   244.28285530
_cell_formula_units_Z   4
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  0.75000000  0.50632652  0.75257363  1.0
  Th  Th1  1  0.25000000  0.49367348  0.24742637  1.0
  Th  Th2  1  0.25000000  0.99367348  0.25257363  1.0
  Th  Th3  1  0.75000000  0.00632652  0.74742637  1.0
  Ni  Ni4  1  0.75000000  0.23689942  0.41265276  1.0
  Ni  Ni5  1  0.25000000  0.76310058  0.58734724  1.0
  Ni  Ni6  1  0.25000000  0.26310058  0.91265276  1.0
  Ni  Ni7  1  0.75000000  0.73689942  0.08734724  1.0
  As  As8  1  0.75000000  0.22639694  0.07974540  1.0
  As  As9  1  0.25000000  0.77360306  0.92025460  1.0
  As  As10  1  0.25000000  0.27360306  0.57974540  1.0
  As  As11  1  0.75000000  0.72639694  0.42025460  1.0
  H  H12  1  0.25000000  0.95566557  0.57867537  1.0
  H  H13  1  0.75000000  0.04433443  0.42132463  1.0
  H  H14  1  0.75000000  0.54433443  0.07867537  1.0
  H  H15  1  0.25000000  0.45566557  0.92132463  1.0