data_[Sm2Sb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1636]
_cell_length_b [4.0493]
_cell_length_c [12.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(SbSe2)3]
_chemical_formula_sum '[Sm2 Sb6 Se12]'
_cell_volume [586.7467]
_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  0.3111  0.2500  0.9665  1.0
  Sb  Sb1  2  0.1005  0.7500  0.1507  1.0
  Sb  Sb2  2  0.1616  0.2500  0.5690  1.0
  Sb  Sb3  2  0.4634  0.7500  0.7076  1.0
  Se  Se4  2  0.0994  0.7500  0.4179  1.0
  Se  Se5  2  0.1153  0.7500  0.9408  1.0
  Se  Se6  2  0.2543  0.2500  0.1995  1.0
  Se  Se7  2  0.2733  0.7500  0.7737  1.0
  Se  Se8  2  0.3782  0.2500  0.5477  1.0
  Se  Se9  2  0.4682  0.7500  0.1060  1.0
]