data_[Sm4Rh1Se1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5415]
_cell_length_b [4.0479]
_cell_length_c [7.7297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4RhSeBr2]
_chemical_formula_sum '[Sm4 Rh1 Se1 Br2]'
_cell_volume [225.2501]
_cell_formula_units_Z [1]
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  2  0.2478  0.0000  0.7076  1
  Sm  Sm1  2  0.2900  0.5000  0.2997  1
  Rh  Rh2  1  0.5000  0.0000  0.5000  1
  Se  Se3  1  0.0000  0.5000  0.5000  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
  Br  Br5  1  0.5000  0.5000  0.0000  1
]