data_Ni2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.27
_cell_angle_alpha   108.74
_cell_angle_beta   108.74
_cell_angle_gamma   37.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AsRu
_chemical_formula_sum   'Ni2 As1 Ru1'
_cell_volume   50.84
_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
  Ni  Ni1  1  0.4  0.0  0.14  1.0
  Ni  Ni2  1  0.01  0.0  0.79  1.0
  As  As0  1  0.21  0.0  0.89  1.0
  Ru  Ru3  1  0.64  0.0  0.2  1.0

data_Ni2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.27
_cell_length_c   4.53
_cell_angle_alpha   108.74
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AsRu
_chemical_formula_sum   'Ni2 As1 Ru1'
_cell_volume   50.84
_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
  Ni  Ni0  1  0.0  0.14  0.4  1.0
  Ni  Ni1  1  0.0  0.79  0.01  1.0
  As  As2  1  0.0  0.89  0.21  1.0
  Ru  Ru3  1  0.0  0.2  0.64  1.0

Ni Ni As Ru