data_GaTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.61
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Cl
_chemical_formula_sum   'Ga1 Te2 Cl1'
_cell_volume   109.51
_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  0.68  1.0
  Te  Te2  1  0.37  0.31  0.74  1.0
  Te  Te3  1  0.06  0.31  0.62  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_GaTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.61
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Cl
_chemical_formula_sum   'Ga1 Te2 Cl1'
_cell_volume   109.51
_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  0.68  1.0
  Te  Te1  1  0.06  0.31  0.62  1.0
  Te  Te2  1  0.37  0.31  0.74  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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