# generated using pymatgen
data_Th3Sc(NiAs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11424334
_cell_length_b   4.11424453
_cell_length_c   14.44904763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(NiAs2)2
_chemical_formula_sum   'Th3 Sc1 Ni2 As4'
_cell_volume   211.81166160
_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  0.37166044  1.0
  Th  Th1  1  0.66666700  0.33333300  0.62021222  1.0
  Th  Th2  1  0.66666700  0.33333300  0.89851342  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.11609222  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.21234728  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.76121131  1.0
  As  As6  1  0.00000000  0.00000000  0.49373715  1.0
  As  As7  1  0.00000000  0.00000000  0.02684940  1.0
  As  As8  1  0.33333300  0.66666700  0.75895607  1.0
  As  As9  1  0.66666700  0.33333300  0.24041648  1.0