data_[Ti20Ga4Te8]
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 [Cmcm]
_cell_length_a [4.7892]
_cell_length_b [12.7663]
_cell_length_c [11.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti5GaTe2]
_chemical_formula_sum '[Ti20 Ga4 Te8]'
_cell_volume [712.5350]
_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
[
  Ti  Ti0  8  0.0000  0.1065  0.1308  1
  Ti  Ti1  8  0.0000  0.3051  0.0216  1
  Ti  Ti2  4  0.0000  0.2984  0.7500  1
  Ga  Ga3  4  0.0000  0.2842  0.2500  1
  Te  Te4  8  0.0000  0.1108  0.6066  1
]