data_MnBeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.59
_cell_angle_alpha   98.54
_cell_angle_beta   98.54
_cell_angle_gamma   36.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRu2
_chemical_formula_sum   'Mn1 Be1 Ru2'
_cell_volume   48.74
_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  0.7  0.0  0.27  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.92  0.0  0.1  1.0
  Ru  Ru3  1  0.47  0.0  0.43  1.0

data_MnBeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.27
_cell_length_c   4.59
_cell_angle_alpha   98.54
_cell_angle_beta   90.0
_cell_angle_gamma   108.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeRu2
_chemical_formula_sum   'Mn1 Be1 Ru2'
_cell_volume   48.74
_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  0.0  0.3  0.73  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.08  0.9  1.0
  Ru  Ru3  1  0.0  0.53  0.57  1.0

Mn Be Ru Ru