data_[Nd6Co4Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0718]
_cell_length_b [4.4210]
_cell_length_c [5.1914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Co2Sn3]
_chemical_formula_sum '[Nd6 Co4 Sn6]'
_cell_volume [386.0811]
_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  0.1668  0.0000  0.5838  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.2209  0.0000  0.1070  1.0
  Sn  Sn3  4  0.1443  0.5000  0.0709  1.0
  Sn  Sn4  2  0.0000  0.5000  0.5000  1.0
]