data_[Sm12Ge4As6Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4259]
_cell_length_b [4.1890]
_cell_length_c [8.5514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge2As3Br]
_chemical_formula_sum '[Sm12 Ge4 As6 Br2]'
_cell_volume [642.4421]
_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  0.0020  0.0000  0.2697  1.0
  Sm  Sm1  4  0.1673  0.5000  0.5850  1.0
  Sm  Sm2  4  0.1725  0.5000  0.0873  1.0
  Ge  Ge3  4  0.1652  0.0000  0.3305  1.0
  As  As4  4  0.1627  0.0000  0.8350  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]