data_[Sm16Bi4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2643]
_cell_length_b [13.6616]
_cell_length_c [14.0087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm4BiSe2]
_chemical_formula_sum '[Sm16 Bi4 Se8]'
_cell_volume [816.0987]
_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  0.2326  0.6206  1.0
  Sm  Sm1  4  0.0000  0.0630  0.2500  1.0
  Sm  Sm2  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3932  0.2500  1.0
  Se  Se4  8  0.0000  0.1354  0.0595  1.0
]