data_[Sm6Si2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4743]
_cell_length_b [6.9518]
_cell_length_c [9.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm3SiBi]
_chemical_formula_sum '[Sm6 Si2 Bi2]'
_cell_volume [301.4851]
_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  4  0.0000  0.2386  0.3431  1.0
  Sm  Sm1  2  0.0000  0.0000  0.9132  1.0
  Si  Si2  2  0.0000  0.0000  0.6053  1.0
  Bi  Bi3  2  0.0000  0.5000  0.8530  1.0
]