data_[Sm12Ge4As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  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 [18.3960]
_cell_length_b [4.2173]
_cell_length_c [8.4523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge2AsSe3]
_chemical_formula_sum '[Sm12 Ge4 As2 Se6]'
_cell_volume [638.0353]
_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  0.0035  0.0000  0.2455  1
  Sm  Sm1  4  0.1649  0.5000  0.0910  1
  Sm  Sm2  4  0.1689  0.5000  0.5773  1
  Ge  Ge3  4  0.1664  0.0000  0.3327  1
  As  As4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1657  0.0000  0.8340  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]