data_MgNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.57
_cell_angle_alpha   100.53
_cell_angle_beta   100.53
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ru
_chemical_formula_sum   'Mg1 Ni2 Ru1'
_cell_volume   51.91
_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
  Mg  Mg0  1  0.54  0.0  0.47  1.0
  Ni  Ni1  1  0.2  0.0  0.48  1.0
  Ni  Ni2  1  0.29  0.0  0.21  1.0
  Ru  Ru3  1  0.88  0.0  0.06  1.0

data_MgNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.56
_cell_length_c   4.57
_cell_angle_alpha   100.53
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ru
_chemical_formula_sum   'Mg1 Ni2 Ru1'
_cell_volume   51.91
_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
  Mg  Mg0  1  0.0  0.46  0.53  1.0
  Ni  Ni1  1  0.0  0.71  0.79  1.0
  Ni  Ni2  1  0.0  0.8  0.52  1.0
  Ru  Ru3  1  0.0  0.12  0.94  1.0

Mg Ni Ni Ru