data_MnB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   4.79
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   51.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2Ru
_chemical_formula_sum   'Mn1 B2 Ru1'
_cell_volume   37.92
_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  Mn2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.04  0.0  0.05  1.0
  B  B1  1  0.41  0.0  0.53  1.0
  Ru  Ru3  1  0.23  0.0  0.29  1.0

data_MnB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.25
_cell_length_c   4.79
_cell_angle_alpha   105.11
_cell_angle_beta   90.0
_cell_angle_gamma   115.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2Ru
_chemical_formula_sum   'Mn1 B2 Ru1'
_cell_volume   37.92
_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  0.0  0.0  1.0
  B  B1  1  0.0  0.59  0.47  1.0
  B  B2  1  0.0  0.96  0.95  1.0
  Ru  Ru3  1  0.0  0.77  0.71  1.0

Mn B B Ru
Mn B B Ru 0 1 o o o 1 3 o o o 2 3 o o o 