data_CaAl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   5.73
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   92.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2Te
_chemical_formula_sum   'Ca1 Al2 Te1'
_cell_volume   107.38
_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  Ca2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.69  0.86  0.21  1.0
  Al  Al1  1  0.19  0.86  0.42  1.0
  Te  Te3  1  0.94  0.0  0.31  1.0

data_CaAl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.63
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2Te
_chemical_formula_sum   'Ca1 Al2 Te1'
_cell_volume   107.38
_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
  Al  Al1  1  0.31  0.79  0.14  1.0
  Al  Al2  1  0.81  0.58  0.14  1.0
  Te  Te3  1  0.06  0.69  0.0  1.0

Ca Al Al Te