data_[Sm2Mn8Co16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3489]
_cell_length_b [8.3489]
_cell_length_c [4.5292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sm(MnCo2)4]
_chemical_formula_sum '[Sm2 Mn8 Co16]'
_cell_volume [315.7034]
_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  0.0000  1
  Mn  Mn1  8  0.2500  0.2500  0.2500  1
  Co  Co2  8  0.0000  0.2289  0.5000  1
  Co  Co3  8  0.0000  0.3592  0.0000  1
]