data_ZrNbCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbCr
_chemical_formula_sum   'Zr1 Nb1 Cr1'
_cell_volume   52.27
_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  Zr2  1  0.0  0.54  0.14  1.0
  Nb  Nb1  1  0.2  0.27  0.89  1.0
  Cr  Cr0  1  0.0  0.0  0.08  1.0

data_ZrNbCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbCr
_chemical_formula_sum   'Zr1 Nb1 Cr1'
_cell_volume   52.27
_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  Zr0  1  0.14  0.0  0.54  1.0
  Nb  Nb1  1  0.89  0.2  0.27  1.0
  Cr  Cr2  1  0.08  0.0  0.0  1.0

Zr Nb Cr
Zr Nb Cr 0 2 o + o 0 1 o o - 1 2 o o + 