data_Zr2CrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.4
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrRh
_chemical_formula_sum   'Zr2 Cr1 Rh1'
_cell_volume   69.11
_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  0.67  0.2  0.0  1.0
  Zr  Zr3  1  0.67  0.0  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.2  0.35  1.0

data_Zr2CrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.4
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrRh
_chemical_formula_sum   'Zr2 Cr1 Rh1'
_cell_volume   69.11
_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  0.67  0.0  0.35  1.0
  Zr  Zr1  1  0.67  0.2  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.2  0.35  1.0

Zr Zr Cr Rh
Zr Zr Cr Rh 0 2 + o o 1 3 + o o 