data_[Nd16Ga6Co2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1652]
_cell_length_b [8.4906]
_cell_length_c [9.3326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ga3CoI4]
_chemical_formula_sum '[Nd16 Ga6 Co2 I8]'
_cell_volume [1003.0264]
_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  8  0.0129  0.2294  0.3098  1.0
  Nd  Nd1  4  0.2298  0.0000  0.7067  1.0
  Nd  Nd2  4  0.2383  0.5000  0.7175  1.0
  Ga  Ga3  4  0.2500  0.2500  0.5000  1.0
  Ga  Ga4  2  0.0000  0.5000  0.5000  1.0
  Co  Co5  2  0.0000  0.0000  0.5000  1.0
  I  I6  4  0.2500  0.2500  0.0000  1.0
  I  I7  2  0.0000  0.0000  0.0000  1.0
  I  I8  2  0.0000  0.5000  0.0000  1.0
]