data_[Sm16As8Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7958]
_cell_length_b [11.8163]
_cell_length_c [8.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8As4Se3]
_chemical_formula_sum '[Sm16 As8 Se6]'
_cell_volume [824.2545]
_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  0.0000  0.2469  0.0000  1
  Sm  Sm1  4  0.0000  0.2538  0.5000  1
  Sm  Sm2  4  0.2481  0.0000  0.4906  1
  Sm  Sm3  4  0.2485  0.5000  0.9953  1
  As  As4  4  0.2500  0.2500  0.0000  1
  As  As5  2  0.0000  0.0000  0.0000  1
  As  As6  2  0.0000  0.5000  0.5000  1
  Se  Se7  4  0.2500  0.2500  0.5000  1
  Se  Se8  2  0.0000  0.0000  0.5000  1
]