data_[Sm12P10Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [7.1667]
_cell_length_b [12.3840]
_cell_length_c [7.1355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6P5Br]
_chemical_formula_sum '[Sm12 P10 Br2]'
_cell_volume [596.8075]
_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  8  0.2364  0.3235  0.7401  1
  Sm  Sm1  4  0.2346  0.5000  0.2606  1
  P  P2  4  0.0000  0.1615  0.5000  1
  P  P3  4  0.0000  0.3326  0.0000  1
  P  P4  2  0.0000  0.5000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]