data_MgBeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   144.49
_cell_angle_beta   144.49
_cell_angle_gamma   51.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeRu
_chemical_formula_sum   'Mg1 Be1 Ru1'
_cell_volume   41.4
_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  0.98  1.0
  Be  Be0  1  0.0  0.0  0.4  1.0
  Ru  Ru2  1  0.0  0.0  0.61  1.0

data_MgBeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   115.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBeRu
_chemical_formula_sum   'Mg2 Be2 Ru2'
_cell_volume   82.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.48  0.5  0.98  1.0
  Be  Be1  2  0.4  0.0  0.4  1.0
  Ru  Ru2  2  0.11  0.5  0.61  1.0

Mg Be Ru