data_[Sr2Zr1Ta1O6]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7899]
_cell_length_b [5.8024]
_cell_length_c [5.8042]
_cell_angle_alpha [119.5437]
_cell_angle_beta [119.7296]
_cell_angle_gamma [90.3767]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2ZrTaO6]
_chemical_formula_sum '[Sr2 Zr1 Ta1 O6]'
_cell_volume [138.9370]
_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  0.2510  0.7423  0.4948  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.2165  0.7040  0.9997  1.0
  O  O4  2  0.2677  0.1919  0.9461  1.0
  O  O5  2  0.2849  0.2872  0.5123  1.0
]