data_CrTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   110.74
_cell_angle_beta   110.74
_cell_angle_gamma   33.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcPb2
_chemical_formula_sum   'Cr1 Tc1 Pb2'
_cell_volume   85.97
_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  0.51  0.0  0.85  1.0
  Tc  Tc3  1  0.84  0.0  0.56  1.0
  Pb  Pb1  1  0.36  0.0  0.8  1.0
  Pb  Pb2  1  0.53  0.0  0.57  1.0

data_CrTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   110.74
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcPb2
_chemical_formula_sum   'Cr1 Tc1 Pb2'
_cell_volume   85.97
_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  0.85  0.51  1.0
  Tc  Tc1  1  0.0  0.56  0.84  1.0
  Pb  Pb2  1  0.0  0.57  0.53  1.0
  Pb  Pb3  1  0.0  0.8  0.36  1.0

Cr Tc Pb Pb