data_[Sr4Th2Sc2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  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 [10.3500]
_cell_length_b [6.0196]
_cell_length_c [6.0450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ThScO6]
_chemical_formula_sum '[Sr4 Th2 Sc2 O12]'
_cell_volume [311.4253]
_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  0.2465  0.5000  0.7239  1
  Th  Th1  2  0.0000  0.5000  0.0000  1
  Sc  Sc2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0605  0.2439  0.3208  1
  O  O4  4  0.2399  0.0000  0.8440  1
]