# generated using pymatgen
data_Th3Sc(NiAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05555124
_cell_length_b   4.05555100
_cell_length_c   15.69815592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(NiAs)4
_chemical_formula_sum   'Th3 Sc1 Ni4 As4'
_cell_volume   223.60373612
_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  0.00000000  0.00000000  0.75000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.01138195  1.0
  Th  Th2  1  0.00000000  0.00000000  0.48861805  1.0
  Sc  Sc3  1  0.00000000  0.00000000  0.25000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.15793542  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.88284627  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.61715373  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.34206458  1.0
  As  As8  1  0.33333300  0.66666700  0.61965204  1.0
  As  As9  1  0.66666700  0.33333300  0.36588715  1.0
  As  As10  1  0.66666700  0.33333300  0.13411285  1.0
  As  As11  1  0.33333300  0.66666700  0.88034796  1.0