data_CrTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.45
_cell_length_c   4.48
_cell_angle_alpha   70.9
_cell_angle_beta   68.75
_cell_angle_gamma   40.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTePb2
_chemical_formula_sum   'Cr1 Te1 Pb2'
_cell_volume   113.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.07  0.26  0.67  1.0
  Pb  Pb1  1  0.07  0.63  0.83  1.0
  Pb  Pb2  1  0.0  0.63  0.83  1.0

data_CrTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.45
_cell_angle_alpha   109.1
_cell_angle_beta   109.1
_cell_angle_gamma   93.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTePb2
_chemical_formula_sum   'Cr1 Te1 Pb2'
_cell_volume   113.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.67  0.93  0.67  1.0
  Pb  Pb2  1  0.83  0.0  0.37  1.0
  Pb  Pb3  1  0.83  0.93  0.3  1.0

Cr Te Pb Pb
Cr Te Pb Pb 0 2 o - - 0 1 o o - 1 3 o o o 2 3 o o o 