data_BiAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.51
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   97.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Ru
_chemical_formula_sum   'Bi1 As2 Ru1'
_cell_volume   94.84
_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
  Bi  Bi2  1  0.52  0.25  0.94  1.0
  As  As0  1  0.46  0.25  0.94  1.0
  As  As1  1  0.91  0.0  0.71  1.0
  Ru  Ru3  1  0.38  0.0  0.5  1.0

data_BiAs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.51
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   97.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Ru
_chemical_formula_sum   'Bi1 As2 Ru1'
_cell_volume   94.84
_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
  Bi  Bi0  1  0.52  0.25  0.94  1.0
  As  As1  1  0.46  0.25  0.94  1.0
  As  As2  1  0.91  0.0  0.71  1.0
  Ru  Ru3  1  0.38  0.0  0.5  1.0

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