data_Zr2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18
_cell_length_b   10.18
_cell_length_c   10.18
_cell_angle_alpha   16.79
_cell_angle_beta   16.79
_cell_angle_gamma   16.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaW
_chemical_formula_sum   'Zr2 Ga1 W1'
_cell_volume   76.88
_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  0.51  1.0
  Zr  Zr3  1  0.0  0.0  0.6  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.06  1.0

data_Zr2GaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   2.97
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2GaW
_chemical_formula_sum   'Zr4 Ga2 W2'
_cell_volume   153.75
_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  -0.0  0.0  0.4  1.0
  Zr  Zr1  2  -0.0  0.0  0.49  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  W  W3  2  -0.0  0.0  0.94  1.0

Zr Zr Ga W