data_[K2Ga2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7844]
_cell_length_b [4.5585]
_cell_length_c [10.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGaSnTe3]
_chemical_formula_sum '[K2 Ga2 Sn2 Te6]'
_cell_volume [459.5600]
_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
[
  K  K0  2  0.2105  0.2500  0.2278  1.0
  Ga  Ga1  2  0.0785  0.2500  0.6252  1.0
  Sn  Sn2  2  0.3369  0.7500  0.8780  1.0
  Te  Te3  2  0.0903  0.2500  0.8674  1.0
  Te  Te4  2  0.1922  0.7500  0.5450  1.0
  Te  Te5  2  0.4581  0.7500  0.1629  1.0
]