data_ZrMnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.57
_cell_length_c   3.05
_cell_angle_alpha   75.08
_cell_angle_beta   73.23
_cell_angle_gamma   31.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnRu
_chemical_formula_sum   'Zr1 Mn1 Ru1'
_cell_volume   48.05
_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
  Zr  Zr2  1  0.09  0.23  0.44  1.0
  Mn  Mn0  1  0.09  0.23  0.19  1.0
  Ru  Ru1  1  0.09  0.23  0.69  1.0

data_ZrMnRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   10.32
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   133.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnRu
_chemical_formula_sum   'Zr2 Mn2 Ru2'
_cell_volume   96.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.25  0.0  0.47  1.0
  Mn  Mn1  2  0.5  0.0  0.72  1.0
  Ru  Ru2  2  0.49  0.5  0.21  1.0

Zr Mn Ru
Zr Mn Ru 0 1 o o o 0 2 o o o 