data_[Sm12Sn4As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  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 [18.7151]
_cell_length_b [4.2928]
_cell_length_c [8.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Sn2AsSe3]
_chemical_formula_sum '[Sm12 Sn4 As2 Se6]'
_cell_volume [674.3243]
_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  0.0002  0.0000  0.7590  1.0
  Sm  Sm1  4  0.1632  0.5000  0.0769  1.0
  Sm  Sm2  4  0.1634  0.5000  0.5882  1.0
  Sn  Sn3  4  0.1673  0.0000  0.3338  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1660  0.0000  0.8348  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]