data_[Ga2Te2Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9259]
_cell_length_b [7.2509]
_cell_length_c [9.5314]
_cell_angle_alpha [73.9788]
_cell_angle_beta [82.0595]
_cell_angle_gamma [89.4578]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaTeSe2]
_chemical_formula_sum '[Ga2 Te2 Se4]'
_cell_volume [258.1705]
_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  1  0.2325  0.4531  0.6325  1.0
  Ga  Ga1  1  0.5961  0.9834  0.9076  1.0
  Te  Te2  1  0.0352  0.8120  0.5641  1.0
  Te  Te3  1  0.9737  0.6841  0.2833  1.0
  Se  Se4  1  0.1161  0.8094  0.8530  1.0
  Se  Se5  1  0.4031  0.3916  0.3955  1.0
  Se  Se6  1  0.4806  0.9703  0.1705  1.0
  Se  Se7  1  0.6717  0.3346  0.7989  1.0
]