data_ZnAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAs2Ru
_chemical_formula_sum   'Zn1 As2 Ru1'
_cell_volume   68.15
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.61  0.0  0.27  1.0
  As  As1  1  0.61  0.0  0.15  1.0
  Ru  Ru2  1  0.0  0.0  0.21  1.0

data_ZnAs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAs2Ru
_chemical_formula_sum   'Zn1 As2 Ru1'
_cell_volume   68.15
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.61  0.0  0.15  1.0
  As  As2  1  0.61  0.0  0.27  1.0
  Ru  Ru3  1  0.0  0.0  0.21  1.0

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