data_ZrSc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.6
_cell_angle_alpha   95.66
_cell_angle_beta   95.66
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2W
_chemical_formula_sum   'Zr1 Sc2 W1'
_cell_volume   82.67
_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
  Zr  Zr3  1  0.02  0.0  0.08  1.0
  Sc  Sc0  1  0.02  0.0  0.0  1.0
  Sc  Sc1  1  0.48  0.0  0.48  1.0
  W  W2  1  0.69  0.0  0.78  1.0

data_ZrSc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.23
_cell_length_c   5.6
_cell_angle_alpha   95.66
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2W
_chemical_formula_sum   'Zr1 Sc2 W1'
_cell_volume   82.67
_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
  Zr  Zr0  1  0.0  0.98  0.92  1.0
  Sc  Sc1  1  0.0  0.52  0.52  1.0
  Sc  Sc2  1  0.0  0.98  1.0  1.0
  W  W3  1  0.0  0.31  0.22  1.0

Zr Sc Sc W
Zr Sc Sc W 0 1 o o o 0 3 - o - 1 3 - o - 2 3 o o o 