data_[Nd12Tl2Co4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.9104]
_cell_length_b [3.9245]
_cell_length_c [8.8720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TlCo2Cl3]
_chemical_formula_sum '[Nd12 Tl2 Co4 Cl6]'
_cell_volume [703.9820]
_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  0.0419  0.0000  0.2927  1.0
  Nd  Nd1  4  0.1644  0.5000  0.1297  1.0
  Nd  Nd2  4  0.1905  0.5000  0.5801  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Co  Co4  4  0.1730  0.0000  0.3496  1.0
  Cl  Cl5  4  0.1841  0.0000  0.8570  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]