data_MgCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.71
_cell_angle_alpha   102.6
_cell_angle_beta   102.6
_cell_angle_gamma   119.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuRu2
_chemical_formula_sum   'Mg1 Cu1 Ru2'
_cell_volume   57.34
_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  Mg1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.62  0.0  0.0  1.0
  Ru  Ru2  1  0.73  0.24  0.22  1.0
  Ru  Ru3  1  0.73  0.76  0.22  1.0

data_MgCuRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.75
_cell_length_c   5.19
_cell_angle_alpha   115.69
_cell_angle_beta   102.6
_cell_angle_gamma   95.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuRu2
_chemical_formula_sum   'Mg1 Cu1 Ru2'
_cell_volume   57.34
_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
  Cu  Cu1  1  0.0  0.0  0.62  1.0
  Ru  Ru2  1  0.46  0.24  0.97  1.0
  Ru  Ru3  1  0.98  0.76  0.49  1.0

Mg Cu Ru Ru