data_[Sr2Zr1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7587]
_cell_length_b [5.7944]
_cell_length_c [5.8336]
_cell_angle_alpha [60.3266]
_cell_angle_beta [60.9121]
_cell_angle_gamma [89.9809]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2ZrWO6]
_chemical_formula_sum '[Sr2 Zr1 W1 O6]'
_cell_volume [140.2019]
_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  2  0.2491  0.2585  0.9991  1.0
  Zr  Zr1  1  0.5000  0.0000  0.5000  1.0
  W  W2  1  0.0000  0.5000  0.5000  1.0
  O  O3  2  0.1772  0.1852  0.5385  1.0
  O  O4  2  0.2540  0.7075  0.9968  1.0
  O  O5  2  0.3163  0.7154  0.4612  1.0
]