data_Sc2TaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.86
_cell_angle_alpha   96.4
_cell_angle_beta   96.4
_cell_angle_gamma   118.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaW
_chemical_formula_sum   'Sc2 Ta1 W1'
_cell_volume   76.86
_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
  Sc  Sc0  1  0.12  0.59  0.4  1.0
  Sc  Sc1  1  0.12  0.41  0.4  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.86  0.0  0.0  1.0

data_Sc2TaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   118.58
_cell_angle_beta   96.4
_cell_angle_gamma   96.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaW
_chemical_formula_sum   'Sc2 Ta1 W1'
_cell_volume   76.86
_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
  Sc  Sc0  1  0.4  0.12  0.41  1.0
  Sc  Sc1  1  0.4  0.12  0.59  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.86  0.0  1.0

Sc Sc Ta W