data_[Ca2Nd4Ag6]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2868]
_cell_length_b [5.2868]
_cell_length_c [12.9408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CaNd2Ag3]
_chemical_formula_sum '[Ca2 Nd4 Ag6]'
_cell_volume [313.2354]
_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  0.3333  0.6667  0.6660  1
  Nd  Nd1  2  0.3333  0.6667  0.1696  1
  Nd  Nd2  1  0.0000  0.0000  0.0000  1
  Nd  Nd3  1  0.0000  0.0000  0.5000  1
  Ag  Ag4  2  0.0000  0.0000  0.2496  1
  Ag  Ag5  2  0.3333  0.6667  0.4185  1
  Ag  Ag6  2  0.3333  0.6667  0.9202  1
]