data_[Nd4Rh1S2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1539]
_cell_length_b [4.0133]
_cell_length_c [7.2540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4RhS2Cl]
_chemical_formula_sum '[Nd4 Rh1 S2 Cl1]'
_cell_volume [197.3684]
_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  0.2640  0.0000  0.7519  1.0
  Nd  Nd1  2  0.2660  0.5000  0.2668  1.0
  Rh  Rh2  1  0.5000  0.5000  0.0000  1.0
  S  S3  1  0.0000  0.5000  0.5000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl5  1  0.0000  0.0000  0.0000  1.0
]