# generated using pymatgen
data_Th(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07472999
_cell_length_b   8.38255909
_cell_length_c   10.17018597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(NiAs)2
_chemical_formula_sum   'Th4 Ni8 As8'
_cell_volume   347.37963447
_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  0.25000000  0.26242402  0.66839545  1.0
  Th  Th1  1  0.75000000  0.73757598  0.33160455  1.0
  Th  Th2  1  0.25000000  0.76242402  0.83160455  1.0
  Th  Th3  1  0.75000000  0.23757598  0.16839545  1.0
  Ni  Ni4  1  0.75000000  0.07521322  0.44937268  1.0
  Ni  Ni5  1  0.25000000  0.92478678  0.55062732  1.0
  Ni  Ni6  1  0.75000000  0.57521322  0.05062732  1.0
  Ni  Ni7  1  0.25000000  0.42478678  0.94937268  1.0
  Ni  Ni8  1  0.25000000  0.95382484  0.12292937  1.0
  Ni  Ni9  1  0.75000000  0.04617516  0.87707063  1.0
  Ni  Ni10  1  0.25000000  0.45382484  0.37707063  1.0
  Ni  Ni11  1  0.75000000  0.54617516  0.62292937  1.0
  As  As12  1  0.25000000  0.14555610  0.94984977  1.0
  As  As13  1  0.75000000  0.85444390  0.05015023  1.0
  As  As14  1  0.25000000  0.64555610  0.55015023  1.0
  As  As15  1  0.75000000  0.35444390  0.44984977  1.0
  As  As16  1  0.25000000  0.52939081  0.16238808  1.0
  As  As17  1  0.75000000  0.47060919  0.83761192  1.0
  As  As18  1  0.25000000  0.02939081  0.33761192  1.0
  As  As19  1  0.75000000  0.97060919  0.66238808  1.0