data_FeRh2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.69
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   33.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2W
_chemical_formula_sum   'Fe1 Rh2 W1'
_cell_volume   55.38
_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
  Fe  Fe0  1  0.57  0.0  0.51  1.0
  Rh  Rh1  1  0.99  0.0  0.53  1.0
  Rh  Rh2  1  0.46  0.0  0.17  1.0
  W  W3  1  0.06  0.0  0.31  1.0

data_FeRh2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.64
_cell_length_c   4.69
_cell_angle_alpha   100.06
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2W
_chemical_formula_sum   'Fe1 Rh2 W1'
_cell_volume   55.38
_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
  Fe  Fe0  1  0.0  0.43  0.49  1.0
  Rh  Rh1  1  0.0  0.01  0.47  1.0
  Rh  Rh2  1  0.0  0.54  0.83  1.0
  W  W3  1  0.0  0.94  0.69  1.0

Fe Rh Rh W
Fe Rh Rh W 0 2 o o o 1 3 + o o 