# generated using pymatgen
data_NdZr3(NiAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96997620
_cell_length_b   3.96997549
_cell_length_c   14.77696311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdZr3(NiAs)4
_chemical_formula_sum   'Nd1 Zr3 Ni4 As4'
_cell_volume   201.69332404
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.24271796  1.0
  Zr  Zr2  1  0.00000000  0.00000000  0.75728204  1.0
  Zr  Zr3  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.14344432  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.85655568  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.67019190  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.32980810  1.0
  As  As8  1  0.33333300  0.66666700  0.63161904  1.0
  As  As9  1  0.66666700  0.33333300  0.36838096  1.0
  As  As10  1  0.66666700  0.33333300  0.11180529  1.0
  As  As11  1  0.33333300  0.66666700  0.88819471  1.0