data_ReAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.61
_cell_angle_alpha   104.42
_cell_angle_beta   104.42
_cell_angle_gamma   39.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Ru
_chemical_formula_sum   'Re1 As2 Ru1'
_cell_volume   60.62
_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
  Re  Re2  1  0.69  0.0  0.62  1.0
  As  As0  1  1.0  0.0  0.22  1.0
  As  As1  1  0.25  0.0  0.02  1.0
  Ru  Ru3  1  0.31  0.0  0.81  1.0

data_ReAs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.61
_cell_length_c   4.63
_cell_angle_alpha   104.42
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Ru
_chemical_formula_sum   'Re1 As2 Ru1'
_cell_volume   60.62
_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
  Re  Re0  1  0.0  0.62  0.69  1.0
  As  As1  1  0.0  0.02  0.25  1.0
  As  As2  1  0.0  0.22  1.0  1.0
  Ru  Ru3  1  0.0  0.81  0.31  1.0

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