data_GaAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   32.75
_cell_angle_beta   32.75
_cell_angle_gamma   32.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAgTe2
_chemical_formula_sum   'Ga1 Ag1 Te2'
_cell_volume   101.11
_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  Ga1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.35  1.0
  Te  Te2  1  0.0  0.0  0.47  1.0
  Te  Te3  1  0.0  0.0  0.22  1.0

data_GaAgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   4.11
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaAgTe2
_chemical_formula_sum   'Ga2 Ag2 Te4'
_cell_volume   202.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.65  1.0
  Te  Te2  2  0.0  0.0  0.53  1.0
  Te  Te3  2  0.0  0.0  0.78  1.0

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