data_YSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   125.4
_cell_angle_beta   125.4
_cell_angle_gamma   80.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2W
_chemical_formula_sum   'Y1 Sn2 W1'
_cell_volume   87.45
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.36  0.0  0.96  1.0
  Sn  Sn1  1  0.0  0.36  0.96  1.0
  W  W2  1  0.0  0.0  0.92  1.0

data_YSn2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   130.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSn2W
_chemical_formula_sum   'Y2 Sn4 W2'
_cell_volume   174.89
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.22  0.18  0.4  1.0
  W  W2  2  0.08  0.0  0.08  1.0

Y Sn Sn W
Y Sn Sn W 0 3 o o - 0 1 o o - 0 2 o o - 1 3 o o o 2 3 o o o 