data_ScCrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   4.09
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrPd2
_chemical_formula_sum   'Sc1 Cr1 Pd2'
_cell_volume   65.26
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.04  0.13  1.0
  Pd  Pd1  1  0.88  0.04  0.0  1.0
  Pd  Pd2  1  0.88  0.0  0.13  1.0

data_ScCrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.09
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrPd2
_chemical_formula_sum   'Sc1 Cr1 Pd2'
_cell_volume   65.26
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.04  0.13  1.0
  Pd  Pd2  1  0.88  0.0  0.13  1.0
  Pd  Pd3  1  0.88  0.04  0.0  1.0

Sc Cr Pd Pd
Sc Cr Pd Pd 0 2 - o o 0 1 o o o 1 3 - o o 2 3 o o o 