data_NbCrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.83
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   33.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrPd2
_chemical_formula_sum   'Nb1 Cr1 Pd2'
_cell_volume   62.44
_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  0.62  0.0  0.62  1.0
  Cr  Cr0  1  0.19  0.0  0.29  1.0
  Pd  Pd2  1  0.11  0.0  0.7  1.0
  Pd  Pd3  1  0.77  0.0  0.26  1.0

data_NbCrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.83
_cell_length_c   4.86
_cell_angle_alpha   100.33
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrPd2
_chemical_formula_sum   'Nb1 Cr1 Pd2'
_cell_volume   62.44
_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  0.62  0.62  1.0
  Cr  Cr1  1  0.0  0.29  0.19  1.0
  Pd  Pd2  1  0.0  0.26  0.77  1.0
  Pd  Pd3  1  0.0  0.7  0.11  1.0

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