data_[Ca2Nd2Ag8]
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 [Imm2]
_cell_length_a [4.7513]
_cell_length_b [7.3323]
_cell_length_c [8.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaNdAg4]
_chemical_formula_sum '[Ca2 Nd2 Ag8]'
_cell_volume [284.7681]
_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  0.0000  0.0000  0.9550  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0389  1.0
  Ag  Ag2  4  0.0000  0.2011  0.3334  1.0
  Ag  Ag3  4  0.0000  0.2949  0.6615  1.0
]