# generated using pymatgen
data_Nd2NiRuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07534863
_cell_length_b   4.07534970
_cell_length_c   16.35325310
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiRuCl
_chemical_formula_sum   'Nd4 Ni2 Ru2 Cl2'
_cell_volume   235.21467141
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.61481780  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.38600094  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.11481780  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.88600094  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.99821550  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.49821550  1.0
  Ru  Ru6  1  0.66666700  0.33333300  0.50222460  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.00222460  1.0
  Cl  Cl8  1  0.66666700  0.33333300  0.24874015  1.0
  Cl  Cl9  1  0.33333300  0.66666700  0.74874015  1.0