data_CaGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   141.84
_cell_angle_beta   140.52
_cell_angle_gamma   56.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Te
_chemical_formula_sum   'Ca1 Ga2 Te1'
_cell_volume   103.02
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.1  0.0  0.86  1.0
  Ga  Ga2  1  0.0  0.17  0.8  1.0
  Te  Te3  1  0.0  0.0  0.66  1.0

data_CaGa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.33
_cell_length_c   6.42
_cell_angle_alpha   109.74
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Te
_chemical_formula_sum   'Ca1 Ga2 Te1'
_cell_volume   103.02
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.2  0.36  0.36  1.0
  Ga  Ga2  1  0.24  0.14  0.24  1.0
  Te  Te3  1  0.34  0.34  0.34  1.0

Ca Ga Ga Te
Ca Ga Ga Te 0 1 o o - 1 3 o o o 2 3 o o o 