data_[Sm2Bi6Se12]
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 [P2_1/m]
_cell_length_a [12.2438]
_cell_length_b [4.1609]
_cell_length_c [12.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(BiSe2)3]
_chemical_formula_sum '[Sm2 Bi6 Se12]'
_cell_volume [597.0755]
_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  2  0.3098  0.2500  0.9610  1.0
  Bi  Bi1  2  0.0969  0.7500  0.1513  1.0
  Bi  Bi2  2  0.1628  0.2500  0.5652  1.0
  Bi  Bi3  2  0.4717  0.7500  0.7007  1.0
  Se  Se4  2  0.0814  0.7500  0.4042  1.0
  Se  Se5  2  0.1114  0.7500  0.9289  1.0
  Se  Se6  2  0.2578  0.2500  0.1928  1.0
  Se  Se7  2  0.2711  0.7500  0.7644  1.0
  Se  Se8  2  0.3836  0.2500  0.5346  1.0
  Se  Se9  2  0.4664  0.7500  0.1022  1.0
]