data_MnSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.68
_cell_angle_alpha   107.28
_cell_angle_beta   107.28
_cell_angle_gamma   35.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Ru
_chemical_formula_sum   'Mn1 Sn2 Ru1'
_cell_volume   67.16
_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  0.96  0.0  0.51  1.0
  Sn  Sn2  1  0.02  0.0  0.28  1.0
  Sn  Sn3  1  0.32  0.0  0.02  1.0
  Ru  Ru1  1  0.14  0.0  0.86  1.0

data_MnSn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.68
_cell_length_c   5.11
_cell_angle_alpha   107.28
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Ru
_chemical_formula_sum   'Mn1 Sn2 Ru1'
_cell_volume   67.16
_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  0.51  0.96  1.0
  Sn  Sn1  1  0.0  0.02  0.32  1.0
  Sn  Sn2  1  0.0  0.28  0.02  1.0
  Ru  Ru3  1  0.0  0.86  0.14  1.0

Mn Sn Sn Ru
Mn Sn Sn Ru 0 1 + o o 2 3 o o - 