data_[Sr4Zr2Sc2O12]
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
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1323]
_cell_length_b [5.8639]
_cell_length_c [5.8843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ZrScO6]
_chemical_formula_sum '[Sr4 Zr2 Sc2 O12]'
_cell_volume [285.1831]
_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  0.2496  0.5000  0.2387  1.0
  Zr  Zr1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0440  0.2495  0.7938  1.0
  O  O4  4  0.2499  0.5000  0.6693  1.0
]