data_ZrTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52
_cell_length_b   11.52
_cell_length_c   11.52
_cell_angle_alpha   17.13
_cell_angle_beta   17.13
_cell_angle_gamma   17.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTePb2
_chemical_formula_sum   'Zr1 Te1 Pb2'
_cell_volume   115.59
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.02  1.0
  Pb  Pb0  1  0.0  0.0  0.53  1.0
  Pb  Pb1  1  0.0  0.0  0.5  1.0

data_ZrTePb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTePb2
_chemical_formula_sum   'Zr2 Te2 Pb4'
_cell_volume   231.17
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.98  1.0
  Pb  Pb2  2  0.0  0.0  0.47  1.0
  Pb  Pb3  2  0.0  0.0  0.5  1.0

Zr Te Pb Pb