data_[Zn1Ga2Te3Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9438]
_cell_length_b [5.9570]
_cell_length_c [7.1787]
_cell_angle_alpha [114.3755]
_cell_angle_beta [113.3609]
_cell_angle_gamma [90.9533]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnGa2Te3Se]
_chemical_formula_sum '[Zn1 Ga2 Te3 Se1]'
_cell_volume [207.5463]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  1  0.9880  0.9841  0.9934  1
  Ga  Ga1  1  0.5085  0.5063  0.9946  1
  Ga  Ga2  1  0.7439  0.2642  0.5085  1
  Te  Te3  1  0.1306  0.1012  0.7264  1
  Te  Te4  1  0.3647  0.8625  0.2699  1
  Te  Te5  1  0.9049  0.4059  0.2680  1
  Se  Se6  1  0.6095  0.6258  0.7393  1
]