data_[Sm12Ge6Bi2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7015]
_cell_length_b [4.2296]
_cell_length_c [8.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge3BiSe2]
_chemical_formula_sum '[Sm12 Ge6 Bi2 Se4]'
_cell_volume [664.4369]
_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  0.0004  0.0000  0.2669  1.0
  Sm  Sm1  4  0.1654  0.5000  0.5880  1.0
  Sm  Sm2  4  0.1737  0.5000  0.0835  1.0
  Ge  Ge3  4  0.1657  0.0000  0.8323  1.0
  Ge  Ge4  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1682  0.0000  0.3361  1.0
]