data_Sc2SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   136.78
_cell_angle_beta   132.39
_cell_angle_gamma   66.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnW
_chemical_formula_sum   'Sc2 Sn1 W1'
_cell_volume   80.62
_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
  Sc  Sc1  1  0.01  0.0  0.3  1.0
  Sn  Sn2  1  0.0  0.0  0.61  1.0
  W  W3  1  0.0  0.2  0.22  1.0

data_Sc2SnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.4
_cell_length_c   5.45
_cell_angle_alpha   113.81
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnW
_chemical_formula_sum   'Sc2 Sn1 W1'
_cell_volume   80.62
_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
  Sc  Sc1  1  0.0  0.3  0.3  1.0
  Sn  Sn2  1  0.0  0.61  0.61  1.0
  W  W3  1  0.8  0.02  0.02  1.0

Sc Sc Sn W
Sc Sc Sn W 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 