data_GaTeI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   6.91
_cell_length_c   28.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.83
_cell_angle_gamma   86.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeI7
_chemical_formula_sum   'Ga1 Te1 I7'
_cell_volume   1386.36
_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
  Ga  Ga0  1  0.3  0.49  0.18  1.0
  Te  Te1  1  0.99  0.92  0.09  1.0
  I  I2  1  0.77  0.67  0.02  1.0
  I  I3  1  0.11  0.14  0.02  1.0
  I  I4  1  0.69  0.16  0.1  1.0
  I  I5  1  0.38  0.62  0.1  1.0
  I  I6  1  0.96  0.65  0.18  1.0
  I  I7  1  0.3  0.12  0.18  1.0
  I  I8  1  0.55  0.59  0.26  1.0

Ga Te I I I I I I I 0 7 o o o 0 6 - o o 0 5 o o o 0 8 o o o 1 2 o o o 1 6 o o o 1 4 o + o 1 5 + o o 1 3 + + o 1 7 + + o 
data_GaTeI7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.91
_cell_length_b   7.2
_cell_length_c   27.89
_cell_angle_alpha   91.44
_cell_angle_beta   90.78
_cell_angle_gamma   93.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeI7
_chemical_formula_sum   'Ga1 Te1 I7'
_cell_volume   1386.36
_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
  Ga  Ga0  1  0.51  0.12  0.18  1.0
  Te  Te1  1  0.08  0.9  0.09  1.0
  I  I2  1  0.33  0.75  0.02  1.0
  I  I3  1  0.35  0.78  0.18  1.0
  I  I4  1  0.38  0.28  0.1  1.0
  I  I5  1  0.41  0.3  0.26  1.0
  I  I6  1  0.84  0.59  0.1  1.0
  I  I7  1  0.86  0.09  0.02  1.0
  I  I8  1  0.88  0.12  0.18  1.0
