data_CrGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   139.91
_cell_angle_beta   139.91
_cell_angle_gamma   57.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Te
_chemical_formula_sum   'Cr1 Ga2 Te1'
_cell_volume   74.45
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.94  0.0  0.47  1.0
  Ga  Ga2  1  0.0  0.94  0.47  1.0
  Te  Te3  1  0.0  0.0  0.95  1.0

data_CrGa2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   118.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGa2Te
_chemical_formula_sum   'Cr2 Ga4 Te2'
_cell_volume   148.89
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.0  0.47  0.54  1.0
  Te  Te2  2  0.45  0.5  0.95  1.0

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