data_[Sm4Ho4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2630]
_cell_length_b [3.9740]
_cell_length_c [10.9721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHoBr3]
_chemical_formula_sum '[Sm4 Ho4 Br12]'
_cell_volume [730.6684]
_cell_formula_units_Z [4]
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  0.0893  0.5000  0.9584  1.0
  Ho  Ho1  4  0.0749  0.0000  0.2398  1.0
  Br  Br2  4  0.0861  0.0000  0.7525  1.0
  Br  Br3  4  0.1329  0.5000  0.4229  1.0
  Br  Br4  4  0.2016  0.0000  0.1173  1.0
]