data_[Sm12Sn2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3217]
_cell_length_b [12.6775]
_cell_length_c [7.3478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SnSe5]
_chemical_formula_sum '[Sm12 Sn2 Se10]'
_cell_volume [643.4271]
_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  0.2461  0.3309  0.7447  1
  Sm  Sm1  4  0.2449  0.5000  0.2518  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1637  0.5000  1
  Se  Se4  4  0.0000  0.3323  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]