data_GaTeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   6.98
_cell_length_c   4.54
_cell_angle_alpha   83.48
_cell_angle_beta   61.65
_cell_angle_gamma   34.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeCl
_chemical_formula_sum   'Ga1 Te1 Cl1'
_cell_volume   105.07
_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  0.9  0.12  0.46  1.0
  Te  Te2  1  0.9  0.12  0.46  1.0
  Cl  Cl0  1  0.9  0.12  0.97  1.0

data_GaTeCl
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.79
_cell_length_b   13.44
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   114.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   GaTeCl
_chemical_formula_sum   'Ga2 Te2 Cl2'
_cell_volume   210.14
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.5  0.0  1.0
  Te  Te1  2  0.0  0.5  0.0  1.0
  Cl  Cl2  2  0.0  0.5  0.5  1.0
