data_[Ca2Nd2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0207]
_cell_length_b [4.1009]
_cell_length_c [9.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaNdAuSe3]
_chemical_formula_sum '[Ca2 Nd2 Au2 Se6]'
_cell_volume [312.2064]
_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
[
  Ca  Ca0  2  0.2763  0.7500  0.2190  1
  Nd  Nd1  2  0.1873  0.2500  0.6692  1
  Au  Au2  2  0.3891  0.7500  0.9158  1
  Se  Se3  2  0.0852  0.2500  0.3532  1
  Se  Se4  2  0.2022  0.2500  0.9787  1
  Se  Se5  2  0.4504  0.7500  0.6613  1
]