data_[Nd6Al2Co2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [9.8178]
_cell_length_b [9.8178]
_cell_length_c [6.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Nd3AlCoS7]
_chemical_formula_sum '[Nd6 Al2 Co2 S14]'
_cell_volume [516.6532]
_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  6  0.1549  0.3741  0.2262  1
  Al  Al1  2  0.3333  0.6667  0.6495  1
  Co  Co2  2  0.0000  0.0000  0.0618  1
  S  S3  6  0.0914  0.5693  0.5063  1
  S  S4  6  0.0914  0.2172  0.8152  1
  S  S5  2  0.3333  0.6667  0.0096  1
]