data_[Sm28Sb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1717]
_cell_length_b [13.6768]
_cell_length_c [24.7876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm7SbSe5]
_chemical_formula_sum '[Sm28 Sb4 Se20]'
_cell_volume [1414.2582]
_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  8  0.0000  0.1381  0.0373  1
  Sm  Sm1  8  0.0000  0.3131  0.6776  1
  Sm  Sm2  8  0.0000  0.4065  0.1164  1
  Sm  Sm3  4  0.0000  0.0226  0.7500  1
  Sb  Sb4  4  0.0000  0.3090  0.2500  1
  Se  Se5  8  0.0000  0.0498  0.1422  1
  Se  Se6  8  0.0000  0.2237  0.5713  1
  Se  Se7  4  0.0000  0.5000  0.0000  1
]