data_NbCrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.63
_cell_angle_alpha   101.3
_cell_angle_beta   101.3
_cell_angle_gamma   34.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrPd2
_chemical_formula_sum   'Nb1 Cr1 Pd2'
_cell_volume   60.4
_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
  Nb  Nb1  1  0.18  0.0  0.26  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.68  0.0  0.43  1.0
  Pd  Pd3  1  0.69  0.0  0.1  1.0

data_NbCrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.63
_cell_length_c   4.87
_cell_angle_alpha   101.3
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrPd2
_chemical_formula_sum   'Nb1 Cr1 Pd2'
_cell_volume   60.4
_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
  Nb  Nb0  1  0.0  0.26  0.18  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.1  0.69  1.0
  Pd  Pd3  1  0.0  0.43  0.68  1.0

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