data_ZnAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   24.03
_cell_angle_beta   24.03
_cell_angle_gamma   24.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAs2Ru
_chemical_formula_sum   'Zn1 As2 Ru1'
_cell_volume   68.03
_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  0.0  0.0  0.09  1.0
  As  As1  1  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.3  1.0

data_ZnAs2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnAs2Ru
_chemical_formula_sum   'Zn2 As4 Ru2'
_cell_volume   136.06
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.5  1.0
  As  As2  2  0.0  0.0  0.91  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

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