data_[Sm4Tl4Co4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6451]
_cell_length_b [4.2027]
_cell_length_c [12.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmTlCoSe3]
_chemical_formula_sum '[Sm4 Tl4 Co4 Se12]'
_cell_volume [607.4839]
_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
[
  Sm  Sm0  4  0.0203  0.7500  0.1748  1
  Tl  Tl1  4  0.1734  0.7500  0.5044  1
  Co  Co2  4  0.2477  0.2500  0.3012  1
  Se  Se3  4  0.0468  0.2500  0.3364  1
  Se  Se4  4  0.1093  0.7500  0.9417  1
  Se  Se5  4  0.2214  0.2500  0.7101  1
]