data_AlCo2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   22.55
_cell_angle_beta   22.55
_cell_angle_gamma   22.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Te
_chemical_formula_sum   'Al1 Co2 Te1'
_cell_volume   60.2
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.71  1.0
  Co  Co2  1  0.0  0.0  0.96  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0

data_AlCo2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCo2Te
_chemical_formula_sum   'Al2 Co4 Te2'
_cell_volume   120.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.04  1.0
  Co  Co2  2  0.0  0.0  0.29  1.0
  Te  Te3  2  0.0  0.0  0.67  1.0

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