data_ReAsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   142.46
_cell_angle_beta   126.56
_cell_angle_gamma   67.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsW
_chemical_formula_sum   'Re1 As1 W1'
_cell_volume   47.19
_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  Re1  1  0.0  0.0  0.15  1.0
  As  As0  1  0.0  0.0  0.68  1.0
  W  W2  1  0.0  0.0  0.54  1.0

data_ReAsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.14
_cell_length_c   4.61
_cell_angle_alpha   116.72
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsW
_chemical_formula_sum   'Re1 As1 W1'
_cell_volume   47.19
_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  0.85  0.85  0.85  1.0
  As  As1  1  0.32  0.32  0.32  1.0
  W  W2  1  0.46  0.46  0.46  1.0

Re As W
Re As W 0 1 o o - 0 2 o o o 1 2 o o o 