data_CaCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   4.3
_cell_angle_alpha   90.12
_cell_angle_beta   90.12
_cell_angle_gamma   31.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdTe2
_chemical_formula_sum   'Ca1 Cd1 Te2'
_cell_volume   129.52
_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  0.76  0.0  0.73  1.0
  Cd  Cd1  1  0.24  0.0  0.58  1.0
  Te  Te2  1  0.45  0.0  0.88  1.0
  Te  Te3  1  0.48  0.0  0.57  1.0

data_CaCdTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.3
_cell_length_c   7.6
_cell_angle_alpha   90.12
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdTe2
_chemical_formula_sum   'Ca1 Cd1 Te2'
_cell_volume   129.52
_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  0.73  0.76  1.0
  Cd  Cd1  1  0.0  0.58  0.24  1.0
  Te  Te2  1  0.0  0.57  0.48  1.0
  Te  Te3  1  0.0  0.88  0.45  1.0

Ca Cd Te Te
Ca Cd Te Te 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 