data_[Nd4C1Se2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6713]
_cell_length_b [3.8893]
_cell_length_c [7.1497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4CSe2O]
_chemical_formula_sum '[Nd4 C1 Se2 O1]'
_cell_volume [176.1442]
_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  0.2415  0.5000  0.2052  1
  Nd  Nd1  2  0.2660  0.0000  0.7942  1
  Se  Se2  1  0.0000  0.5000  0.5000  1
  Se  Se3  1  0.5000  0.0000  0.5000  1
  C  C4  1  0.5000  0.5000  0.0000  1
  O  O5  1  0.0000  0.0000  0.0000  1
]