data_Zr2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   141.73
_cell_angle_beta   131.33
_cell_angle_gamma   63.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaW
_chemical_formula_sum   'Zr2 Ga1 W1'
_cell_volume   76.52
_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  0.0  0.0  0.26  1.0
  Zr  Zr3  1  0.8  0.0  0.36  1.0
  Ga  Ga0  1  0.0  0.0  0.83  1.0
  W  W1  1  0.0  0.27  0.26  1.0

data_Zr2GaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.53
_cell_length_c   5.5
_cell_angle_alpha   114.33
_cell_angle_beta   109.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaW
_chemical_formula_sum   'Zr2 Ga1 W1'
_cell_volume   76.52
_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  0.44  0.64  0.44  1.0
  Zr  Zr1  1  0.74  0.74  0.74  1.0
  Ga  Ga2  1  0.17  0.17  0.17  1.0
  W  W3  1  0.74  0.01  0.01  1.0

Zr Zr Ga W