data_[Ti16Ga4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1952]
_cell_length_b [4.1546]
_cell_length_c [6.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Ga2Te]
_chemical_formula_sum '[Ti16 Ga4 Te2]'
_cell_volume [373.0001]
_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
[
  Ti  Ti0  4  0.0437  0.0000  0.7377  1.0
  Ti  Ti1  4  0.0941  0.5000  0.4575  1.0
  Ti  Ti2  4  0.1515  0.0000  0.2087  1.0
  Ti  Ti3  4  0.1828  0.5000  0.9166  1.0
  Ga  Ga4  4  0.2161  0.0000  0.6513  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]