data_[Nd6Pt2Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4608]
_cell_length_b [4.1843]
_cell_length_c [9.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3PtSeCl]
_chemical_formula_sum '[Nd6 Pt2 Se2 Cl2]'
_cell_volume [328.9445]
_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  2  0.1058  0.7500  0.8905  1
  Nd  Nd1  2  0.2757  0.2500  0.5119  1
  Nd  Nd2  2  0.4318  0.2500  0.1641  1
  Pt  Pt3  2  0.3340  0.2500  0.8476  1
  Se  Se4  2  0.1847  0.7500  0.2382  1
  Cl  Cl5  2  0.0923  0.7500  0.5994  1
]