data_CaAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Ru
_chemical_formula_sum   'Ca1 Ag2 Ru1'
_cell_volume   75.9
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.36  0.0  0.79  1.0
  Ag  Ag1  1  0.36  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.0  0.33  1.0

data_CaAg2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaAg2Ru
_chemical_formula_sum   'Ca1 Ag2 Ru1'
_cell_volume   75.92
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.36  0.0  0.79  1.0
  Ag  Ag2  1  0.36  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.0  0.33  1.0

Ca Ag Ag Ru
Ca Ag Ag Ru 0 2 o o - 0 3 o o o 1 2 o o o 