data_[Sm2Ti2Fe10Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7062]
_cell_length_b [8.5371]
_cell_length_c [8.4430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SmTiFe5Co6]
_chemical_formula_sum '[Sm2 Ti2 Fe10 Co12]'
_cell_volume [339.2151]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.9972  1.0
  Ti  Ti1  2  0.0000  0.0000  0.3753  1.0
  Fe  Fe2  8  0.2492  0.2504  0.7475  1.0
  Fe  Fe3  2  0.0000  0.5000  0.2676  1.0
  Co  Co4  4  0.0000  0.2747  0.4975  1.0
  Co  Co5  4  0.0000  0.3586  0.0002  1.0
  Co  Co6  2  0.0000  0.0000  0.6487  1.0
  Co  Co7  2  0.0000  0.5000  0.7257  1.0
]