data_CrSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   20.39
_cell_angle_beta   20.39
_cell_angle_gamma   20.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Pd
_chemical_formula_sum   'Cr1 Si2 Pd1'
_cell_volume   53.02
_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
  Si  Si2  1  0.0  0.0  0.36  1.0
  Si  Si3  1  0.0  0.0  0.94  1.0
  Pd  Pd1  1  0.0  0.0  0.65  1.0

data_CrSi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSi2Pd
_chemical_formula_sum   'Cr2 Si4 Pd2'
_cell_volume   106.04
_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  2  0.0  0.0  0.0  1.0
  Si  Si1  2  -0.0  0.0  0.64  1.0
  Si  Si2  2  -0.0  0.0  0.06  1.0
  Pd  Pd3  2  -0.0  0.0  0.35  1.0

Cr Si Si Pd
Cr Si Si Pd 0 2 o o - 0 1 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 