data_[Nd12Co4Ag2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1629]
_cell_length_b [4.1685]
_cell_length_c [9.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Co2AgI3]
_chemical_formula_sum '[Nd12 Co4 Ag2 I6]'
_cell_volume [743.6029]
_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
[
  Nd  Nd0  4  0.0298  0.0000  0.2483  1.0
  Nd  Nd1  4  0.1638  0.5000  0.1442  1.0
  Nd  Nd2  4  0.1845  0.5000  0.5527  1.0
  Co  Co3  4  0.1697  0.0000  0.3425  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1627  0.0000  0.8369  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]