data_[Nd1Sm2Co6]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.7297]
_cell_length_b [6.7297]
_cell_length_c [4.1803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Nd(SmCo3)2]
_chemical_formula_sum '[Nd1 Sm2 Co6]'
_cell_volume [163.9533]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.3333  0.6667  0.0000  1
  Co  Co2  6  0.0000  0.3340  0.5000  1
]