data_SrZrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.78
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   96.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrW2
_chemical_formula_sum   'Sr1 Zr1 W2'
_cell_volume   95.97
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.1  0.0  0.4  1.0
  W  W1  1  0.19  0.39  0.25  1.0
  W  W2  1  0.01  0.39  0.54  1.0

data_SrZrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.78
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   96.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrW2
_chemical_formula_sum   'Sr1 Zr1 W2'
_cell_volume   95.97
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.1  0.0  0.4  1.0
  W  W2  1  0.01  0.39  0.54  1.0
  W  W3  1  0.19  0.39  0.25  1.0

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