data_Ga2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   148.39
_cell_angle_beta   125.04
_cell_angle_gamma   64.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuW
_chemical_formula_sum   'Ga2 Cu1 W1'
_cell_volume   58.82
_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
  Ga  Ga1  1  0.0  0.39  0.32  1.0
  Ga  Ga2  1  0.41  0.0  0.05  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.37  1.0

data_Ga2CuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.78
_cell_length_c   5.17
_cell_angle_alpha   117.48
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuW
_chemical_formula_sum   'Ga2 Cu1 W1'
_cell_volume   58.82
_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
  Ga  Ga0  1  0.0  0.05  0.64  1.0
  Ga  Ga1  1  0.61  0.93  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.37  0.37  1.0

Ga Ga Cu W
Ga Ga Cu W 0 2 o o o 0 1 o + + 0 1 o o o 0 3 o o o 1 2 o o o 1 3 + o o 2 3 o o o 