data_Y2TaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   138.0
_cell_angle_beta   138.0
_cell_angle_gamma   60.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaW
_chemical_formula_sum   'Y2 Ta1 W1'
_cell_volume   88.32
_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
  Y  Y2  1  0.0  0.09  0.52  1.0
  Y  Y3  1  0.09  0.0  0.52  1.0
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.04  1.0

data_Y2TaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   120.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TaW
_chemical_formula_sum   'Y4 Ta2 W2'
_cell_volume   176.64
_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  4  0.03  0.45  0.58  1.0
  Ta  Ta1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.46  0.5  0.96  1.0

Y Y Ta W
Y Y Ta W 0 1 o o o 2 3 o o o 