data_AgAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   95.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs2Ru
_chemical_formula_sum   'Ag1 As2 Ru1'
_cell_volume   69.94
_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
  Ag  Ag0  1  0.65  0.0  0.86  1.0
  As  As1  1  0.8  0.5  0.15  1.0
  As  As2  1  0.5  0.5  0.57  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_AgAs2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   95.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AgAs2Ru
_chemical_formula_sum   'Ag1 As2 Ru1'
_cell_volume   69.94
_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
  Ag  Ag0  1  0.65  0.0  0.86  1.0
  As  As1  1  0.5  0.5  0.57  1.0
  As  As2  1  0.8  0.5  0.15  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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