data_AlTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   135.11
_cell_angle_beta   135.11
_cell_angle_gamma   65.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTePb2
_chemical_formula_sum   'Al1 Te1 Pb2'
_cell_volume   115.09
_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
  Te  Te3  1  0.0  0.0  0.19  1.0
  Pb  Pb1  1  0.35  0.0  0.6  1.0
  Pb  Pb2  1  0.0  0.35  0.6  1.0

data_AlTePb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   122.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTePb2
_chemical_formula_sum   'Al2 Te2 Pb4'
_cell_volume   230.18
_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
  Te  Te1  2  0.0  0.0  0.19  1.0
  Pb  Pb2  4  0.32  0.32  0.24  1.0

Al Te Pb Pb
Al Te Pb Pb 0 1 o o o 1 2 o o o 1 3 o o o 