data_MnBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.96
_cell_angle_alpha   103.93
_cell_angle_beta   103.93
_cell_angle_gamma   117.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiRu2
_chemical_formula_sum   'Mn1 Bi1 Ru2'
_cell_volume   65.26
_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  0.0  0.0  1.0
  Bi  Bi0  1  0.74  0.0  0.0  1.0
  Ru  Ru2  1  0.68  0.27  0.31  1.0
  Ru  Ru3  1  0.68  0.73  0.31  1.0

data_MnBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.88
_cell_length_c   5.3
_cell_angle_alpha   115.89
_cell_angle_beta   103.93
_cell_angle_gamma   94.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiRu2
_chemical_formula_sum   'Mn1 Bi1 Ru2'
_cell_volume   65.26
_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
  Bi  Bi1  1  0.0  0.0  0.74  1.0
  Ru  Ru2  1  0.05  0.73  0.42  1.0
  Ru  Ru3  1  0.58  0.27  0.95  1.0

Mn Bi Ru Ru
Mn Bi Ru Ru 0 1 - o o 0 3 - - o 0 3 - - - 1 2 o o o 1 3 o - o 1 3 o - - 