data_MgRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   145.19
_cell_angle_beta   127.68
_cell_angle_gamma   64.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Ru
_chemical_formula_sum   'Mg1 Re2 Ru1'
_cell_volume   61.05
_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  0.53  1.0
  Re  Re1  1  0.54  0.0  0.14  1.0
  Re  Re2  1  0.0  0.0  0.13  1.0
  Ru  Ru3  1  0.54  0.0  0.28  1.0

data_MgRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.54
_cell_length_c   5.15
_cell_angle_alpha   116.16
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Ru
_chemical_formula_sum   'Mg1 Re2 Ru1'
_cell_volume   61.05
_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  0.53  0.53  1.0
  Re  Re1  1  0.0  0.13  0.13  1.0
  Re  Re2  1  0.0  0.14  0.6  1.0
  Ru  Ru3  1  0.0  0.28  0.74  1.0

Mg Re Re Ru