data_MnBeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRu
_chemical_formula_sum   'Mn1 Be1 Ru1'
_cell_volume   33.32
_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
  Mn  Mn1  1  0.0  0.23  0.72  1.0
  Be  Be0  1  0.0  0.0  0.1  1.0
  Ru  Ru2  1  0.93  0.11  0.76  1.0

data_MnBeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.86
_cell_length_c   3.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRu
_chemical_formula_sum   'Mn1 Be1 Ru1'
_cell_volume   33.32
_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
  Mn  Mn0  1  0.72  0.0  0.23  1.0
  Be  Be1  1  0.1  0.0  0.0  1.0
  Ru  Ru2  1  0.76  0.93  0.11  1.0

Mn Be Ru