# generated using pymatgen
data_Ta3Be2NiRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20022042
_cell_length_b   9.20022042
_cell_length_c   3.13084939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Be2NiRu4
_chemical_formula_sum   'Ta6 Be4 Ni2 Ru8'
_cell_volume   265.00779028
_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
  Ta  Ta0  1  0.82062778  0.67937222  0.00000000  1.0
  Ta  Ta1  1  0.17937222  0.32062778  0.00000000  1.0
  Ta  Ta2  1  0.32062778  0.82062778  0.00000000  1.0
  Ta  Ta3  1  0.67937222  0.17937222  0.00000000  1.0
  Ta  Ta4  1  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta5  1  0.00000000  0.00000000  0.00000000  1.0
  Be  Be6  1  0.60959516  0.89040484  0.00000000  1.0
  Be  Be7  1  0.39040484  0.10959516  0.00000000  1.0
  Be  Be8  1  0.10959516  0.60959516  0.00000000  1.0
  Be  Be9  1  0.89040484  0.39040484  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni11  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru12  1  0.56172523  0.72047453  0.50000000  1.0
  Ru  Ru13  1  0.43827477  0.27952547  0.50000000  1.0
  Ru  Ru14  1  0.06172523  0.77952547  0.50000000  1.0
  Ru  Ru15  1  0.93827477  0.22047453  0.50000000  1.0
  Ru  Ru16  1  0.27952547  0.56172523  0.50000000  1.0
  Ru  Ru17  1  0.72047453  0.43827477  0.50000000  1.0
  Ru  Ru18  1  0.22047453  0.06172523  0.50000000  1.0
  Ru  Ru19  1  0.77952547  0.93827477  0.50000000  1.0