data_GaNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.32
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Ru
_chemical_formula_sum   'Ga1 Ni2 Ru1'
_cell_volume   50.11
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.18  0.0  0.08  1.0
  Ni  Ni2  1  0.44  0.0  0.14  1.0
  Ru  Ru3  1  0.81  0.0  0.11  1.0

data_GaNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.32
_cell_length_c   4.5
_cell_angle_alpha   101.82
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Ru
_chemical_formula_sum   'Ga1 Ni2 Ru1'
_cell_volume   50.11
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.08  0.18  1.0
  Ni  Ni2  1  0.0  0.14  0.44  1.0
  Ru  Ru3  1  0.0  0.11  0.81  1.0

Ga Ni Ni Ru