data_[Sm12Ni4As2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9031]
_cell_length_b [4.0114]
_cell_length_c [8.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ni2AsBr3]
_chemical_formula_sum '[Sm12 Ni4 As2 Br6]'
_cell_volume [651.7429]
_cell_formula_units_Z [2]
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  0.0148  0.0000  0.2358  1
  Sm  Sm1  4  0.1630  0.5000  0.1259  1
  Sm  Sm2  4  0.1770  0.5000  0.5479  1
  Ni  Ni3  4  0.1673  0.0000  0.3354  1
  As  As4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1603  0.0000  0.8368  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]