# generated using pymatgen
data_NdNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10126998
_cell_length_b   4.10126998
_cell_length_c   16.15345530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNiAs
_chemical_formula_sum   'Nd4 Ni4 As4'
_cell_volume   235.30586785
_cell_formula_units_Z   4
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  0.25000000  1.0
  Nd  Nd1  1  -0.00000000  0.00000000  0.75000000  1.0
  Nd  Nd2  1  -0.00000000  0.00000000  -0.00000000  1.0
  Nd  Nd3  1  -0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.12781557  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.87218443  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.62781557  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.37218443  1.0
  As  As8  1  0.33333300  0.66666700  0.62323485  1.0
  As  As9  1  0.66666700  0.33333300  0.37676515  1.0
  As  As10  1  0.66666700  0.33333300  0.12323485  1.0
  As  As11  1  0.33333300  0.66666700  0.87676515  1.0