data_GaAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.16
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Te
_chemical_formula_sum   'Ga1 Ag2 Te1'
_cell_volume   85.44
_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  Ga2  1  0.0  0.0  0.95  1.0
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Ag  Ag1  1  0.63  0.08  0.57  1.0
  Te  Te3  1  0.63  0.08  0.7  1.0

data_GaAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.16
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Te
_chemical_formula_sum   'Ga1 Ag2 Te1'
_cell_volume   85.44
_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  0.0  0.0  0.95  1.0
  Ag  Ag1  1  0.0  0.0  0.21  1.0
  Ag  Ag2  1  0.63  0.08  0.57  1.0
  Te  Te3  1  0.63  0.08  0.7  1.0

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