data_MgIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   134.48
_cell_angle_beta   134.48
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Ru
_chemical_formula_sum   'Mg1 In2 Ru1'
_cell_volume   75.09
_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  0.0  0.0  0.45  1.0
  In  In1  1  0.0  0.05  0.22  1.0
  Ru  Ru3  1  0.05  0.0  0.22  1.0

data_MgIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.31
_cell_angle_alpha   112.76
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Ru
_chemical_formula_sum   'Mg1 In2 Ru1'
_cell_volume   75.09
_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  0.17  0.22  0.17  1.0
  In  In2  1  0.45  0.45  0.45  1.0
  Ru  Ru3  1  0.22  0.17  0.17  1.0

Mg In In Ru