data_[Sm12Cu4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2235]
_cell_length_b [17.0648]
_cell_length_c [7.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3CuSe6]
_chemical_formula_sum '[Sm12 Cu4 Se24]'
_cell_volume [979.1738]
_cell_formula_units_Z [4]
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  0.2560  0.0873  0.9411  1
  Sm  Sm1  4  0.2725  0.5904  0.5576  1
  Sm  Sm2  2  0.2359  0.2500  0.5552  1
  Sm  Sm3  2  0.2379  0.7500  0.9425  1
  Cu  Cu4  4  0.1040  0.0290  0.2959  1
  Se  Se5  4  0.1085  0.0813  0.5905  1
  Se  Se6  4  0.1159  0.5814  0.9027  1
  Se  Se7  4  0.4212  0.1760  0.2449  1
  Se  Se8  4  0.4278  0.5001  0.2471  1
  Se  Se9  4  0.4313  0.6752  0.2497  1
  Se  Se10  2  0.1143  0.2500  0.8970  1
  Se  Se11  2  0.1257  0.7500  0.5965  1
]