data_KGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   4.92
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaTe2
_chemical_formula_sum   'K1 Ga1 Te2'
_cell_volume   123.38
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.55  1.0
  Te  Te2  1  0.77  0.46  0.79  1.0
  Te  Te3  1  0.77  0.46  0.31  1.0

data_KGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.92
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaTe2
_chemical_formula_sum   'K1 Ga1 Te2'
_cell_volume   123.38
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.55  1.0
  Te  Te2  1  0.77  0.46  0.31  1.0
  Te  Te3  1  0.77  0.46  0.79  1.0

K Ga Te Te
K Ga Te Te 0 2 - - - 0 2 - o - 0 3 - - o 0 3 - o o 0 0 + o o 0 1 o o - 1 3 - - o 1 3 - o o 1 2 - - o 1 2 - o o 1 1 + o o 2 2 + o o 2 3 o o o 2 3 o o + 3 3 + o o 