data_[Sm20Sb6Se14]
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 [C2/m]
_cell_length_a [7.4475]
_cell_length_b [21.3014]
_cell_length_c [7.3380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm10Sb3Se7]
_chemical_formula_sum '[Sm20 Sb6 Se14]'
_cell_volume [1098.4255]
_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  8  0.2477  0.1974  0.2380  1.0
  Sm  Sm1  8  0.2478  0.8998  0.7495  1.0
  Sm  Sm2  4  0.2434  0.0000  0.2550  1.0
  Sb  Sb3  4  0.0000  0.2023  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.0000  0.0976  0.0000  1.0
  Se  Se6  4  0.0000  0.3002  0.0000  1.0
  Se  Se7  4  0.0000  0.4003  0.5000  1.0
  Se  Se8  2  0.0000  0.0000  0.5000  1.0
]