data_ZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   140.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2
_chemical_formula_sum   'Zr2 Cr4'
_cell_volume   91.04
_cell_formula_units_Z   2
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  Zr4  1  0.3  0.8  0.77  1.0
  Zr  Zr5  1  0.3  0.2  0.3  1.0
  Cr  Cr0  1  0.3  0.84  0.77  1.0
  Cr  Cr1  1  0.3  0.16  0.3  1.0
  Cr  Cr2  1  0.3  0.01  0.77  1.0
  Cr  Cr3  1  0.3  0.99  0.3  1.0

data_ZrCr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.06
_cell_length_b   4.61
_cell_length_c   6.85
_cell_angle_alpha   109.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrCr2
_chemical_formula_sum   'Zr2 Cr4'
_cell_volume   91.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.8  0.8  1.0
  Cr  Cr1  2  0.27  0.01  0.01  1.0
  Cr  Cr2  2  0.27  0.84  0.84  1.0

Zr Zr Cr Cr Cr Cr