data_ZrCrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.0
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrPd2
_chemical_formula_sum   'Zr1 Cr1 Pd2'
_cell_volume   63.74
_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  0.9  0.0  0.82  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.35  0.0  0.32  1.0
  Pd  Pd2  1  0.27  0.0  0.33  1.0

data_ZrCrPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.82
_cell_length_b   4.0
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrCrPd2
_chemical_formula_sum   'Zr1 Cr1 Pd2'
_cell_volume   63.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Zr0  1  0.9  0.0  0.82  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.27  0.0  0.33  1.0
  Pd  Pd3  1  0.35  0.0  0.32  1.0

Zr Cr Pd Pd