data_[Sm12Ge4P6Br2]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2278]
_cell_length_b [4.0956]
_cell_length_c [8.4978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge2P3Br]
_chemical_formula_sum '[Sm12 Ge4 P6 Br2]'
_cell_volume [616.4645]
_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  0.0006  0.0000  0.7266  1.0
  Sm  Sm1  4  0.1656  0.5000  0.5901  1.0
  Sm  Sm2  4  0.1732  0.5000  0.0808  1.0
  Ge  Ge3  4  0.1651  0.0000  0.3302  1.0
  P  P4  4  0.1633  0.0000  0.8350  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]