data_Al2CoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.05
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   109.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoTe
_chemical_formula_sum   'Al2 Co1 Te1'
_cell_volume   76.35
_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
  Al  Al0  1  0.42  0.0  0.74  1.0
  Al  Al1  1  0.21  0.02  0.08  1.0
  Co  Co2  1  0.4  0.0  0.22  1.0
  Te  Te3  1  0.88  0.02  0.47  1.0

data_Al2CoTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.05
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   109.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoTe
_chemical_formula_sum   'Al2 Co1 Te1'
_cell_volume   76.35
_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
  Al  Al0  1  0.21  0.02  0.08  1.0
  Al  Al1  1  0.42  0.0  0.74  1.0
  Co  Co2  1  0.4  0.0  0.22  1.0
  Te  Te3  1  0.88  0.02  0.47  1.0

Al Al Co Te
Al Al Co Te 0 3 - o o 0 3 o o o 0 2 o o + 0 1 o o + 1 2 o o o 2 3 o o o 