data_Mg2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.22
_cell_angle_alpha   99.22
_cell_angle_beta   99.22
_cell_angle_gamma   33.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaW
_chemical_formula_sum   'Mg2 Ga1 W1'
_cell_volume   70.39
_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
  Mg  Mg1  1  0.21  0.0  0.11  1.0
  Mg  Mg2  1  0.71  0.0  0.81  1.0
  Ga  Ga0  1  0.95  0.0  0.47  1.0
  W  W3  1  0.32  0.0  0.47  1.0

data_Mg2GaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.0
_cell_length_c   5.22
_cell_angle_alpha   99.22
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaW
_chemical_formula_sum   'Mg2 Ga1 W1'
_cell_volume   70.39
_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
  Mg  Mg0  1  0.0  0.29  0.19  1.0
  Mg  Mg1  1  0.0  0.79  0.89  1.0
  Ga  Ga2  1  0.0  0.05  0.53  1.0
  W  W3  1  0.0  0.68  0.53  1.0

Mg Mg Ga W
Mg Mg Ga W 0 3 o o o 0 1 - o - 1 3 o o o 1 1 + - o 1 2 o o o 2 3 + o o 