data_Mg2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeW
_chemical_formula_sum   'Mg2 Ge1 W1'
_cell_volume   69.97
_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  0.36  0.25  0.43  1.0
  Mg  Mg2  1  0.36  0.75  0.43  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.73  0.0  0.0  1.0

data_Mg2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   117.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeW
_chemical_formula_sum   'Mg2 Ge1 W1'
_cell_volume   69.97
_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  0.43  0.36  0.75  1.0
  Mg  Mg1  1  0.43  0.36  0.25  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.73  0.0  1.0

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