data_[Sr4Ta2Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7574]
_cell_length_b [5.3766]
_cell_length_c [5.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2TaCuO6]
_chemical_formula_sum '[Sr4 Ta2 Cu2 O12]'
_cell_volume [269.1163]
_cell_formula_units_Z [2]
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  4  0.2471  0.0000  0.2241  1.0
  Ta  Ta1  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0484  0.2404  0.7864  1.0
  O  O4  4  0.2044  0.5000  0.2770  1.0
]