# generated using pymatgen
data_Sc2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48349215
_cell_length_b   4.48345843
_cell_length_c   4.48682987
_cell_angle_alpha   60.11195196
_cell_angle_beta   60.11430872
_cell_angle_gamma   60.04953857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NiRu
_chemical_formula_sum   'Sc2 Ni1 Ru1'
_cell_volume   63.90834426
_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
  Sc  Sc0  1  -0.00000050  0.00002579  0.99988076  1.0
  Sc  Sc1  1  0.49998904  0.50000867  0.50007396  1.0
  Ni  Ni2  1  0.25000688  0.24997352  0.25003199  1.0
  Ru  Ru3  1  0.75000158  0.74999102  0.75001129  1.0