data_MgTaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   2.73
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   117.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaW2
_chemical_formula_sum   'Mg1 Ta1 W2'
_cell_volume   68.12
_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
  Ta  Ta1  1  0.83  0.0  0.0  1.0
  W  W2  1  0.98  0.67  0.29  1.0
  W  W3  1  0.98  0.33  0.29  1.0

data_MgTaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   117.33
_cell_angle_beta   99.49
_cell_angle_gamma   99.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaW2
_chemical_formula_sum   'Mg1 Ta1 W2'
_cell_volume   68.12
_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
  Ta  Ta1  1  -0.0  0.83  0.0  1.0
  W  W2  1  0.29  0.98  0.67  1.0
  W  W3  1  0.29  0.98  0.33  1.0

Mg Ta W W