# generated using pymatgen
data_Th2NiAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04942141
_cell_length_b   4.04942184
_cell_length_c   14.92269482
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2NiAsS
_chemical_formula_sum   'Th4 Ni2 As2 S2'
_cell_volume   211.91605688
_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  0.66666700  0.33333300  0.38594170  1.0
  Th  Th1  1  0.33333300  0.66666700  0.88594170  1.0
  Th  Th2  1  0.33333300  0.66666700  0.61405830  1.0
  Th  Th3  1  0.66666700  0.33333300  0.11405830  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.25000000  1.0
  As  As6  1  0.33333300  0.66666700  0.25000000  1.0
  As  As7  1  0.66666700  0.33333300  0.75000000  1.0
  S  S8  1  0.00000000  0.00000000  0.00000000  1.0
  S  S9  1  0.00000000  0.00000000  0.50000000  1.0