data_GaSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   6.1
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSnTe2
_chemical_formula_sum   'Ga1 Sn1 Te2'
_cell_volume   119.25
_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  0.8  0.0  0.52  1.0
  Sn  Sn1  1  0.77  0.05  0.23  1.0
  Te  Te2  1  0.05  0.0  0.6  1.0
  Te  Te3  1  0.62  0.05  0.22  1.0

data_GaSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   6.1
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSnTe2
_chemical_formula_sum   'Ga1 Sn1 Te2'
_cell_volume   119.25
_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  0.8  0.0  0.52  1.0
  Sn  Sn1  1  0.77  0.05  0.23  1.0
  Te  Te2  1  0.05  0.0  0.6  1.0
  Te  Te3  1  0.62  0.05  0.22  1.0

Ga Sn Te Te
Ga Sn Te Te 0 2 + o o 1 3 o o o 