data_MnZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Ru
_chemical_formula_sum   'Mn1 Zn2 Ru1'
_cell_volume   56.68
_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  0.2  1.0
  Zn  Zn2  1  0.0  0.0  0.05  1.0
  Zn  Zn3  1  0.49  0.0  0.31  1.0
  Ru  Ru1  1  0.49  0.0  0.21  1.0

data_MnZn2Ru
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.69
_cell_length_b   8.51
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MnZn2Ru
_chemical_formula_sum   'Mn1 Zn2 Ru1'
_cell_volume   56.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.8  0.0  1.0
  Zn  Zn1  1  0.0  0.95  0.0  1.0
  Zn  Zn2  1  0.5  0.69  0.0  1.0
  Ru  Ru3  1  0.5  0.79  0.0  1.0

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