# generated using pymatgen
data_ThNi2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13690632
_cell_length_b   4.13690632
_cell_length_c   9.60724555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi2GeAs
_chemical_formula_sum   'Th2 Ni4 Ge2 As2'
_cell_volume   164.41834210
_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  0.24613214  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75386786  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.62609093  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.37390907  1.0
  Ge  Ge6  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge7  1  0.50000000  0.50000000  0.50000000  1.0
  As  As8  1  0.00000000  0.50000000  0.87141371  1.0
  As  As9  1  0.50000000  0.00000000  0.12858629  1.0