data_[Nd4P1Ru1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  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 [7.4023]
_cell_length_b [4.0497]
_cell_length_c [7.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4PRuCl2]
_chemical_formula_sum '[Nd4 P1 Ru1 Cl2]'
_cell_volume [216.4497]
_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  0.2461  0.5000  0.2037  1
  Nd  Nd1  2  0.2712  0.0000  0.7895  1
  P  P2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  1  0.5000  0.5000  0.0000  1
  Cl  Cl4  1  0.0000  0.5000  0.5000  1
  Cl  Cl5  1  0.5000  0.0000  0.5000  1
]