data_[Yb4Nd4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0502]
_cell_length_b [13.1258]
_cell_length_c [11.0100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YbNdCuSe3]
_chemical_formula_sum '[Yb4 Nd4 Cu4 Se12]'
_cell_volume [585.3099]
_cell_formula_units_Z [4]
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
[
  Yb  Yb0  4  0.0000  0.2426  0.7500  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4742  0.2500  1
  Se  Se3  8  0.0000  0.3527  0.0806  1
  Se  Se4  4  0.0000  0.0897  0.2500  1
]