data_ScTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   144.35
_cell_angle_beta   125.92
_cell_angle_gamma   66.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2W
_chemical_formula_sum   'Sc1 Tc2 W1'
_cell_volume   64.66
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.59  0.0  0.26  1.0
  Tc  Tc2  1  0.0  0.35  0.07  1.0
  W  W3  1  0.0  0.0  0.33  1.0

data_ScTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.71
_cell_length_c   5.18
_cell_angle_alpha   117.04
_cell_angle_beta   107.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2W
_chemical_formula_sum   'Sc1 Tc2 W1'
_cell_volume   64.66
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.26  0.68  1.0
  Tc  Tc2  1  0.65  0.71  0.71  1.0
  W  W3  1  0.0  0.33  0.33  1.0

Sc Tc Tc W