data_MgIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.16
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   114.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Ru
_chemical_formula_sum   'Mg1 In2 Ru1'
_cell_volume   78.09
_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  Mg2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.88  0.73  0.46  1.0
  In  In1  1  0.88  0.27  0.46  1.0
  Ru  Ru3  1  0.94  0.0  0.0  1.0

data_MgIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   114.21
_cell_angle_beta   101.74
_cell_angle_gamma   101.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Ru
_chemical_formula_sum   'Mg1 In2 Ru1'
_cell_volume   78.09
_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  0.0  0.0  1.0
  In  In1  1  0.46  0.88  0.27  1.0
  In  In2  1  0.46  0.88  0.73  1.0
  Ru  Ru3  1  0.0  0.94  0.0  1.0

Mg In In Ru