data_CaGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   140.41
_cell_angle_beta   140.41
_cell_angle_gamma   57.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaTe2
_chemical_formula_sum   'Ca1 Ga1 Te2'
_cell_volume   114.36
_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  0.23  0.0  0.89  1.0
  Te  Te2  1  0.0  0.0  0.77  1.0
  Te  Te3  1  0.0  0.23  0.89  1.0

data_CaGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.57
_cell_angle_alpha   109.79
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaTe2
_chemical_formula_sum   'Ca1 Ga1 Te2'
_cell_volume   114.36
_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  0.89  0.66  0.66  1.0
  Te  Te2  1  0.66  0.89  0.66  1.0
  Te  Te3  1  0.77  0.77  0.77  1.0

Ca Ga Te Te