data_[Nd4Ni1Ru1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9543]
_cell_length_b [4.0407]
_cell_length_c [7.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4NiRuCl2]
_chemical_formula_sum '[Nd4 Ni1 Ru1 Cl2]'
_cell_volume [213.6965]
_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  2  0.2339  0.5000  0.2004  1.0
  Nd  Nd1  2  0.2666  0.0000  0.7922  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]