data_Nb2RhW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   7.55
_cell_angle_alpha   152.48
_cell_angle_beta   152.48
_cell_angle_gamma   39.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2RhW2
_chemical_formula_sum   'Nb2 Rh1 W2'
_cell_volume   91.52
_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
  Nb  Nb0  1  0.0  0.0  0.38  1.0
  Nb  Nb1  1  0.0  0.0  0.83  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.79  0.55  1.0
  W  W4  1  0.79  0.0  0.55  1.0

data_Nb2RhW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2RhW2
_chemical_formula_sum   'Nb4 Rh2 W4'
_cell_volume   183.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.17  1.0
  Nb  Nb1  2  0.0  0.0  0.62  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0
  W  W3  4  0.4  0.4  0.24  1.0

Nb Nb Rh W W
Nb Nb Rh W W 0 4 - o o 0 3 o - o 0 2 o o o 1 4 - o o 1 3 o - o 1 2 o o + 3 4 - + o 