data_Nb2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   143.87
_cell_angle_beta   129.78
_cell_angle_gamma   63.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnCr
_chemical_formula_sum   'Nb2 Zn1 Cr1'
_cell_volume   62.84
_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  0.0  0.21  0.23  1.0
  Nb  Nb2  1  0.0  0.0  0.18  1.0
  Zn  Zn3  1  0.0  0.21  0.15  1.0
  Cr  Cr0  1  0.0  0.0  0.7  1.0

data_Nb2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.41
_cell_length_c   5.2
_cell_angle_alpha   115.11
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnCr
_chemical_formula_sum   'Nb2 Zn1 Cr1'
_cell_volume   62.84
_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  0.18  0.18  1.0
  Nb  Nb1  1  0.79  0.03  0.03  1.0
  Zn  Zn2  1  0.79  0.94  0.94  1.0
  Cr  Cr3  1  0.0  0.7  0.7  1.0

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