data_[Ga2Si4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3728]
_cell_length_b [8.0059]
_cell_length_c [6.3966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(SiTe4)2]
_chemical_formula_sum '[Ga2 Si4 Te16]'
_cell_volume [712.9121]
_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  0.0000  1
  Si  Si1  4  0.1660  0.0000  0.6133  1
  Te  Te2  8  0.0682  0.2531  0.7031  1
  Te  Te3  4  0.1645  0.5000  0.1766  1
  Te  Te4  4  0.1831  0.0000  0.2304  1
]