data_MnAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.72
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Ru
_chemical_formula_sum   'Mn1 Ag2 Ru1'
_cell_volume   63.44
_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  Mn2  1  0.67  0.0  0.21  1.0
  Ag  Ag0  1  0.68  0.0  0.98  1.0
  Ag  Ag1  1  0.37  0.86  0.53  1.0
  Ru  Ru3  1  0.16  0.86  0.32  1.0

data_MnAg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.72
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Ru
_chemical_formula_sum   'Mn1 Ag2 Ru1'
_cell_volume   63.44
_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  0.67  0.0  0.21  1.0
  Ag  Ag1  1  0.37  0.86  0.53  1.0
  Ag  Ag2  1  0.68  0.0  0.98  1.0
  Ru  Ru3  1  0.16  0.86  0.32  1.0

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