data_MnGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaRu2
_chemical_formula_sum   'Mn1 Ga1 Ru2'
_cell_volume   52.77
_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
  Ga  Ga0  1  0.0  0.0  0.12  1.0
  Ru  Ru2  1  0.45  0.45  0.53  1.0
  Ru  Ru3  1  0.45  0.45  0.71  1.0

data_MnGaRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaRu2
_chemical_formula_sum   'Mn2 Ga2 Ru4'
_cell_volume   105.55
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.12  1.0
  Ru  Ru2  2  0.45  0.0  0.53  1.0
  Ru  Ru3  2  0.45  0.0  0.71  1.0

Mn Ga Ru Ru
Mn Ga Ru Ru 0 1 o o o 2 3 o o o 