data_[Nd4Sm8Co4]
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 [Pnma]
_cell_length_a [7.0641]
_cell_length_b [9.7703]
_cell_length_c [6.4109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdSm2Co]
_chemical_formula_sum '[Nd4 Sm8 Co4]'
_cell_volume [442.4692]
_cell_formula_units_Z [4]
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  0.0447  0.2500  0.8558  1
  Sm  Sm1  8  0.1702  0.0696  0.3239  1
  Co  Co2  4  0.1151  0.7500  0.5618  1
]