data_[Ga4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [4.1444]
_cell_length_b [11.8740]
_cell_length_c [20.4285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [Ga2Te3]
_chemical_formula_sum '[Ga4 Te6]'
_cell_volume [1005.2915]
_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
[
  Ga  Ga0  2  0.0000  0.0000  0.5562  1
  Ga  Ga1  2  0.0000  0.5000  0.5641  1
  Te  Te2  4  0.0525  0.8371  0.4603  1
  Te  Te3  2  0.0000  0.5000  0.3671  1
]