data_Mg2NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.52
_cell_angle_alpha   93.74
_cell_angle_beta   93.74
_cell_angle_gamma   31.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbW
_chemical_formula_sum   'Mg2 Nb1 W1'
_cell_volume   72.92
_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  0.66  0.0  0.5  1.0
  Mg  Mg1  1  0.13  0.0  0.16  1.0
  Nb  Nb2  1  0.65  0.0  0.63  1.0
  W  W3  1  0.14  0.0  0.48  1.0

data_Mg2NbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.03
_cell_length_c   5.52
_cell_angle_alpha   93.74
_cell_angle_beta   90.0
_cell_angle_gamma   105.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbW
_chemical_formula_sum   'Mg2 Nb1 W1'
_cell_volume   72.92
_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  0.34  0.5  1.0
  Mg  Mg1  1  0.0  0.87  0.84  1.0
  Nb  Nb2  1  0.0  0.35  0.37  1.0
  W  W3  1  0.0  0.86  0.52  1.0

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