data_[Li2Sm6Te4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5602]
_cell_length_b [8.5801]
_cell_length_c [6.7358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm3(TeBr3)2]
_chemical_formula_sum '[Li2 Sm6 Te4 Br12]'
_cell_volume [840.2091]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  4  0.2500  0.2500  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.1772  0.5000  0.7741  1
  Br  Br4  8  0.0763  0.2490  0.2558  1
  Br  Br5  4  0.1614  0.0000  0.7135  1
]