data_[Na6Er4Ti2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4385]
_cell_length_b [12.8936]
_cell_length_c [7.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Er2TiTe6]
_chemical_formula_sum '[Na6 Er4 Ti2 Te12]'
_cell_volume [725.8484]
_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
[
  Na  Na0  4  0.0000  0.1727  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.3340  0.0000  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2326  0.1582  0.2238  1
  Te  Te5  4  0.2400  0.0000  0.7759  1
]