data_[Sm4Y4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0601]
_cell_length_b [3.9576]
_cell_length_c [11.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmYBr3]
_chemical_formula_sum '[Sm4 Y4 Br12]'
_cell_volume [683.2883]
_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  0.1372  0.0000  0.2858  1.0
  Y  Y1  4  0.0737  0.5000  0.9574  1.0
  Br  Br2  4  0.0370  0.0000  0.7455  1.0
  Br  Br3  4  0.1639  0.5000  0.5074  1.0
  Br  Br4  4  0.2148  0.0000  0.1178  1.0
]