# generated using pymatgen
data_ZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07676099
_cell_length_b   5.07676099
_cell_length_c   16.45350477
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2
_chemical_formula_sum   'Zr8 Cr16'
_cell_volume   367.25057836
_cell_formula_units_Z   8
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  0.33333300  0.66666700  0.84378900  1
  Zr  Zr1  1  0.00000000  0.00000000  0.09433900  1
  Zr  Zr2  1  0.66666700  0.33333300  0.15621100  1
  Zr  Zr3  1  0.00000000  0.00000000  0.90566100  1
  Zr  Zr4  1  0.00000000  0.00000000  0.59433900  1
  Zr  Zr5  1  0.00000000  0.00000000  0.40566100  1
  Zr  Zr6  1  0.66666700  0.33333300  0.34378900  1
  Zr  Zr7  1  0.33333300  0.66666700  0.65621100  1
  Cr  Cr8  1  0.50000000  0.00000000  0.00000000  1
  Cr  Cr9  1  0.83440400  0.16559600  0.75000000  1
  Cr  Cr10  1  0.66666700  0.33333300  0.87587700  1
  Cr  Cr11  1  0.16559600  0.33119200  0.25000000  1
  Cr  Cr12  1  0.33119200  0.16559600  0.75000000  1
  Cr  Cr13  1  0.83440400  0.66880800  0.75000000  1
  Cr  Cr14  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr15  1  0.66880800  0.83440400  0.25000000  1
  Cr  Cr16  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr17  1  0.16559600  0.83440400  0.25000000  1
  Cr  Cr18  1  0.33333300  0.66666700  0.12412300  1
  Cr  Cr19  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr20  1  0.66666700  0.33333300  0.62412300  1
  Cr  Cr21  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr22  1  0.33333300  0.66666700  0.37587700  1
  Cr  Cr23  1  0.50000000  0.50000000  0.50000000  1
