# generated using pymatgen
data_Pr2BeRuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06934986
_cell_length_b   4.06934942
_cell_length_c   17.89002103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2BeRuI
_chemical_formula_sum   'Pr4 Be2 Ru2 I2'
_cell_volume   256.56151684
_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
  Pr  Pr0  1  0.00000000  0.00000000  0.60682510  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.39382761  1.0
  Pr  Pr2  1  0.00000000  0.00000000  0.10682510  1.0
  Pr  Pr3  1  0.00000000  0.00000000  0.89382761  1.0
  Be  Be4  1  0.66666700  0.33333300  0.50022193  1.0
  Be  Be5  1  0.33333300  0.66666700  0.00022193  1.0
  Ru  Ru6  1  0.66666700  0.33333300  0.99925042  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.49925042  1.0
  I  I8  1  0.66666700  0.33333300  0.24987493  1.0
  I  I9  1  0.33333300  0.66666700  0.74987493  1.0