# generated using pymatgen
data_ZrCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09917205
_cell_length_b   5.09917205
_cell_length_c   8.10778693
_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   'Zr4 Cr8'
_cell_volume   182.57120839
_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
  Zr  Zr0  1  0.33333300  0.66666700  0.06005600  1
  Zr  Zr1  1  0.66666700  0.33333300  0.56005600  1
  Zr  Zr2  1  0.66666700  0.33333300  0.93994400  1
  Zr  Zr3  1  0.33333300  0.66666700  0.43994400  1
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr5  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr6  1  0.83256000  0.66512000  0.25000000  1
  Cr  Cr7  1  0.16744000  0.83256000  0.75000000  1
  Cr  Cr8  1  0.66512000  0.83256000  0.75000000  1
  Cr  Cr9  1  0.33488000  0.16744000  0.25000000  1
  Cr  Cr10  1  0.83256000  0.16744000  0.25000000  1
  Cr  Cr11  1  0.16744000  0.33488000  0.75000000  1
