data_[Rb4Sm4Co4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0794]
_cell_length_b [4.1500]
_cell_length_c [15.4137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbSmCoSe3]
_chemical_formula_sum '[Rb4 Sm4 Co4 Se12]'
_cell_volume [708.7145]
_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
[
  Rb  Rb0  4  0.2415  0.7500  0.9920  1
  Sm  Sm1  4  0.0065  0.2500  0.7483  1
  Co  Co2  4  0.2435  0.2500  0.2159  1
  Se  Se3  4  0.0645  0.2500  0.1289  1
  Se  Se4  4  0.0797  0.7500  0.6267  1
  Se  Se5  4  0.2441  0.7500  0.3072  1
]