data_[Ti2Ga2Cu2Te6]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1955]
_cell_length_b [3.9455]
_cell_length_c [9.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiGaCuTe3]
_chemical_formula_sum '[Ti2 Ga2 Cu2 Te6]'
_cell_volume [303.1091]
_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  2  0.2884  0.2500  0.8180  1.0
  Ga  Ga1  2  0.2695  0.7500  0.2699  1.0
  Cu  Cu2  2  0.0806  0.7500  0.5953  1.0
  Te  Te3  2  0.0676  0.7500  0.8516  1.0
  Te  Te4  2  0.2630  0.2500  0.5414  1.0
  Te  Te5  2  0.4465  0.2500  0.1254  1.0
]