data_MgNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2W
_chemical_formula_sum   'Mg1 Nb2 W1'
_cell_volume   71.45
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.45  0.28  0.35  1.0
  Nb  Nb2  1  0.45  0.72  0.35  1.0
  W  W3  1  0.9  0.0  0.0  1.0

data_MgNb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   115.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2W
_chemical_formula_sum   'Mg1 Nb2 W1'
_cell_volume   71.45
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.35  0.45  0.28  1.0
  Nb  Nb2  1  0.35  0.45  0.72  1.0
  W  W3  1  0.0  0.9  0.0  1.0

Mg Nb Nb W
Mg Nb Nb W 0 3 - o o 0 1 o o o 0 1 o o - 0 2 - - o 1 3 - o o 1 2 o o o 1 1 o o + 2 3 o + o 2 3 o + + 2 2 o o + 