data_MgGaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52
_cell_length_b   9.52
_cell_length_c   9.52
_cell_angle_alpha   17.26
_cell_angle_beta   17.26
_cell_angle_gamma   17.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaW2
_chemical_formula_sum   'Mg1 Ga1 W2'
_cell_volume   66.32
_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  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.06  1.0
  W  W2  1  0.0  0.0  0.2  1.0
  W  W3  1  0.0  0.0  0.93  1.0

data_MgGaW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaW2
_chemical_formula_sum   'Mg2 Ga2 W4'
_cell_volume   132.63
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.94  1.0
  W  W2  2  0.0  0.0  0.07  1.0
  W  W3  2  0.0  0.0  0.8  1.0

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