data_[Sm12As4Rh2Se6]
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
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2681]
_cell_length_b [4.1545]
_cell_length_c [8.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6As2RhSe3]
_chemical_formula_sum '[Sm12 As4 Rh2 Se6]'
_cell_volume [626.3581]
_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  0.0012  0.0000  0.2373  1.0
  Sm  Sm1  4  0.1598  0.5000  0.0868  1.0
  Sm  Sm2  4  0.1693  0.5000  0.5772  1.0
  As  As3  4  0.1659  0.0000  0.3341  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1698  0.0000  0.8329  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]