data_ReNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.17
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2W
_chemical_formula_sum   'Re1 Ni2 W1'
_cell_volume   52.47
_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  0.93  0.08  0.24  1.0
  Ni  Ni0  1  0.5  0.08  0.81  1.0
  Ni  Ni1  1  0.17  0.0  0.24  1.0
  W  W3  1  0.14  0.0  0.76  1.0

data_ReNi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.17
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2W
_chemical_formula_sum   'Re1 Ni2 W1'
_cell_volume   52.47
_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  0.93  0.08  0.24  1.0
  Ni  Ni1  1  0.17  0.0  0.24  1.0
  Ni  Ni2  1  0.5  0.08  0.81  1.0
  W  W3  1  0.14  0.0  0.76  1.0

Re Ni Ni W
Re Ni Ni W 0 2 + o o 1 3 o o o 