data_SrZr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.79
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2W
_chemical_formula_sum   'Sr1 Zr2 W1'
_cell_volume   103.44
_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
  Sr  Sr0  1  0.79  0.0  0.59  1.0
  Zr  Zr2  1  0.68  0.0  0.79  1.0
  Zr  Zr3  1  0.95  0.4  0.22  1.0
  W  W1  1  0.53  0.4  0.65  1.0

data_SrZr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.79
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2W
_chemical_formula_sum   'Sr1 Zr2 W1'
_cell_volume   103.44
_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
  Sr  Sr0  1  0.79  0.0  0.59  1.0
  Zr  Zr1  1  0.68  0.0  0.79  1.0
  Zr  Zr2  1  0.95  0.4  0.22  1.0
  W  W3  1  0.53  0.4  0.65  1.0

Sr Zr Zr W
Sr Zr Zr W 0 1 o o o 0 2 o o o 0 2 - o o 0 3 o o o 1 2 o o + 1 3 o o o 2 3 o o o 2 3 + o o 2 2 + o o 