data_[Sm6Ni2Te2Br2]
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
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3996]
_cell_length_b [3.9864]
_cell_length_c [11.4845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3NiTeBr]
_chemical_formula_sum '[Sm6 Ni2 Te2 Br2]'
_cell_volume [333.7830]
_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  2  0.2033  0.7500  0.5035  1
  Sm  Sm1  2  0.2410  0.7500  0.1138  1
  Sm  Sm2  2  0.2583  0.2500  0.8277  1
  Ni  Ni3  2  0.4940  0.2500  0.0549  1
  Te  Te4  2  0.0557  0.2500  0.2987  1
  Br  Br5  2  0.4739  0.2500  0.6324  1
]