data_Sc2ZnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   134.08
_cell_angle_beta   134.08
_cell_angle_gamma   66.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnW
_chemical_formula_sum   'Sc2 Zn1 W1'
_cell_volume   73.53
_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  0.05  0.19  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.38  1.0
  W  W2  1  0.05  0.0  0.19  1.0

data_Sc2ZnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.25
_cell_angle_alpha   112.96
_cell_angle_beta   112.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnW
_chemical_formula_sum   'Sc2 Zn1 W1'
_cell_volume   73.53
_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  0.86  0.05  0.86  1.0
  Zn  Zn2  1  0.62  0.0  0.62  1.0
  W  W3  1  0.81  0.0  0.86  1.0

Sc Sc Zn W
Sc Sc Zn W 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 