data_ZrCuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.71
_cell_length_c   2.8
_cell_angle_alpha   79.73
_cell_angle_beta   76.37
_cell_angle_gamma   23.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuW
_chemical_formula_sum   'Zr1 Cu1 W1'
_cell_volume   49.9
_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  Zr2  1  0.83  0.11  0.36  1.0
  Cu  Cu0  1  0.83  0.11  0.1  1.0
  W  W1  1  0.83  0.11  0.45  1.0

data_ZrCuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   12.9
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   130.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCuW
_chemical_formula_sum   'Zr2 Cu2 W2'
_cell_volume   99.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.5  0.19  1.0
  Cu  Cu1  2  0.33  0.5  0.93  1.0
  W  W2  2  0.33  0.5  0.28  1.0

Zr Cu W