data_Sn2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.18
_cell_angle_alpha   105.27
_cell_angle_beta   105.27
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeW
_chemical_formula_sum   'Sn2 Ge1 W1'
_cell_volume   81.98
_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
  Sn  Sn1  1  0.13  0.0  0.24  1.0
  Sn  Sn2  1  0.48  0.0  0.42  1.0
  Ge  Ge0  1  0.29  0.0  0.14  1.0
  W  W3  1  0.45  0.0  0.67  1.0

data_Sn2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.18
_cell_length_c   5.69
_cell_angle_alpha   105.27
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeW
_chemical_formula_sum   'Sn2 Ge1 W1'
_cell_volume   81.98
_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
  Sn  Sn0  1  0.0  0.24  0.13  1.0
  Sn  Sn1  1  0.0  0.42  0.48  1.0
  Ge  Ge2  1  0.0  0.14  0.29  1.0
  W  W3  1  0.0  0.67  0.45  1.0

Sn Sn Ge W
Sn Sn Ge W 0 2 o o o 1 2 o o o 1 3 o o o 