data_[Sm6Y2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.0715]
_cell_length_b [12.8087]
_cell_length_c [4.5463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm3YBi4]
_chemical_formula_sum '[Sm6 Y2 Bi8]'
_cell_volume [528.2497]
_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  0.2500  0.2500  0.0000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.2484  0.5000  1.0
  Bi  Bi4  4  0.2469  0.0000  0.0000  1.0
]