data_Cr2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   129.95
_cell_angle_beta   129.95
_cell_angle_gamma   73.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TePd
_chemical_formula_sum   'Cr2 Te1 Pd1'
_cell_volume   68.39
_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  0.08  0.97  1.0
  Cr  Cr1  1  0.08  0.0  0.97  1.0
  Te  Te3  1  0.0  0.0  0.94  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Cr2TePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   126.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2TePd
_chemical_formula_sum   'Cr4 Te2 Pd2'
_cell_volume   136.78
_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
  Cr  Cr0  4  0.07  0.04  0.11  1.0
  Te  Te1  2  0.06  0.0  0.06  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Cr Cr Te Pd