data_[Nd2Sm2Ta6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [7.1133]
_cell_length_b [7.1133]
_cell_length_c [5.8312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [188]
_chemical_formula_structural [NdSmTa3]
_chemical_formula_sum '[Nd2 Sm2 Ta6]'
_cell_volume [255.5199]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.3333  0.6667  0.0000  1
  Ta  Ta2  6  0.4612  0.1235  0.7500  1
]