data_[Sm4Ga1S2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2087]
_cell_length_b [3.9895]
_cell_length_c [7.2913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4GaS2Br]
_chemical_formula_sum '[Sm4 Ga1 S2 Br1]'
_cell_volume [199.5432]
_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  0.2679  0.5000  0.2462  1.0
  Sm  Sm1  2  0.2770  0.0000  0.7774  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  S  S3  1  0.5000  0.0000  0.5000  1.0
  S  S4  1  0.5000  0.5000  0.0000  1.0
  Br  Br5  1  0.0000  0.5000  0.5000  1.0
]