data_[Li4Sm4Zn4Te12]
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
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.7477]
_cell_length_b [4.3202]
_cell_length_c [11.9388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiSmZnTe3]
_chemical_formula_sum '[Li4 Sm4 Zn4 Te12]'
_cell_volume [760.6548]
_cell_formula_units_Z [4]
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  4  0.2217  0.7500  0.8138  1
  Sm  Sm1  4  0.0243  0.2500  0.1569  1
  Zn  Zn2  4  0.0192  0.7500  0.3965  1
  Te  Te3  4  0.0915  0.7500  0.6114  1
  Te  Te4  4  0.1149  0.2500  0.9230  1
  Te  Te5  4  0.1560  0.7500  0.2512  1
]