# generated using pymatgen
data_ZrPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88284096
_cell_length_b   6.45151209
_cell_length_c   7.31373868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPRu
_chemical_formula_sum   'Zr4 P4 Ru4'
_cell_volume   183.21058302
_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  0.75000000  0.52104925  0.68170857  1.0
  Zr  Zr1  1  0.25000000  0.97895075  0.18170857  1.0
  Zr  Zr2  1  0.75000000  0.02104925  0.81829143  1.0
  Zr  Zr3  1  0.25000000  0.47895075  0.31829143  1.0
  P  P4  1  0.25000000  0.72402085  0.87938942  1.0
  P  P5  1  0.25000000  0.22402085  0.62061058  1.0
  P  P6  1  0.75000000  0.27597915  0.12061058  1.0
  P  P7  1  0.75000000  0.77597915  0.37938942  1.0
  Ru  Ru8  1  0.25000000  0.34910665  0.93900740  1.0
  Ru  Ru9  1  0.25000000  0.84910665  0.56099260  1.0
  Ru  Ru10  1  0.75000000  0.15089335  0.43900740  1.0
  Ru  Ru11  1  0.75000000  0.65089335  0.06099260  1.0