data_[Sm2As1Br1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1353]
_cell_length_b [4.1353]
_cell_length_c [10.3276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm2AsBrCl]
_chemical_formula_sum '[Sm2 As1 Br1 Cl1]'
_cell_volume [152.9457]
_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  1  0.0000  0.0000  0.8374  1
  Sm  Sm1  1  0.6667  0.3333  0.1545  1
  As  As2  1  0.3333  0.6667  0.9958  1
  Br  Br3  1  0.0000  0.0000  0.3316  1
  Cl  Cl4  1  0.6667  0.3333  0.6806  1
]