[CIF]
data_ZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.81800221
_cell_length_b   12.81800221
_cell_length_c   12.81800221
_cell_angle_alpha   162.10358889
_cell_angle_beta   162.10358889
_cell_angle_gamma   25.41442039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2
_chemical_formula_sum   'Zr4 Cr8'
_cell_volume   198.81272552
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.00000000  -0.00000000  6.24321263  1
  Cr  Cr1  1  0.00000000  0.00000000  18.76488581  1
  Cr  Cr2  1  0.00000000  1.99373189  12.49523724  1
  Cr  Cr3  1  -0.00000000  1.99373190  0.00881198  1
  Cr  Cr4  1  0.00000000  -0.00000000  10.51250229  1
  Cr  Cr5  1  0.00000000  0.00000000  14.49559615  1
  Cr  Cr6  1  1.99373189  0.00000000  4.26047768  1
  Cr  Cr7  1  1.99373190  0.00000000  8.24357154  1
  Zr  Zr8  1  -0.00000000  0.00000000  1.90690677  1
  Zr  Zr9  1  0.00000000  0.00000000  23.10119167  1
  Zr  Zr10  1  0.00000000  1.99373189  8.15893138  1
  Zr  Zr11  1  0.00000000  1.99373189  4.34511784  1
[/CIF]
