# generated using pymatgen
data_BaFeAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95494631
_cell_length_b   6.95494631
_cell_length_c   6.95494631
_cell_angle_alpha   145.75867183
_cell_angle_beta   145.75867183
_cell_angle_gamma   49.20535560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeAs2Ru
_chemical_formula_sum   'Ba1 Fe1 As2 Ru1'
_cell_volume   106.03277504
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  As  As2  1  0.65103600  0.65103600  0.00000000  1.0
  As  As3  1  0.34896400  0.34896400  0.00000000  1.0
  Ru  Ru4  1  0.25000000  0.75000000  0.50000000  1.0