data_As2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.3
_cell_angle_alpha   101.51
_cell_angle_beta   101.51
_cell_angle_gamma   40.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuW
_chemical_formula_sum   'As2 Ru1 W1'
_cell_volume   61.9
_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
  As  As0  1  0.77  0.0  0.28  1.0
  As  As1  1  0.21  0.0  0.89  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.49  0.0  0.59  1.0

data_As2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.31
_cell_length_c   5.3
_cell_angle_alpha   101.51
_cell_angle_beta   90.0
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuW
_chemical_formula_sum   'As2 Ru1 W1'
_cell_volume   61.9
_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
  As  As0  1  0.0  0.23  0.72  1.0
  As  As1  1  0.0  0.79  0.11  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.51  0.41  1.0

As As Ru W
As As Ru W 0 3 o o o 0 2 + o o 1 2 o o + 1 3 o o o 