data_[Sm12Sb2P6Se4]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3292]
_cell_length_b [4.1710]
_cell_length_c [8.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SbP3Se2]
_chemical_formula_sum '[Sm12 Sb2 P6 Se4]'
_cell_volume [625.9294]
_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  0.0031  0.0000  0.7349  1.0
  Sm  Sm1  4  0.1626  0.5000  0.5944  1.0
  Sm  Sm2  4  0.1729  0.5000  0.0744  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1666  0.0000  0.8316  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1685  0.0000  0.3365  1.0
]