data_[Sr4Ce4Sc4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7176]
_cell_length_b [12.4135]
_cell_length_c [5.8805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrCeScO4]
_chemical_formula_sum '[Sr4 Ce4 Sc4 O16]'
_cell_volume [417.3745]
_cell_formula_units_Z [4]
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  0.0000  0.1044  0.9852  1.0
  Ce  Ce1  4  0.0000  0.3926  0.0164  1.0
  Sc  Sc2  4  0.0000  0.2449  0.5050  1.0
  O  O3  8  0.2447  0.2727  0.7581  1.0
  O  O4  4  0.0000  0.0836  0.5653  1.0
  O  O5  4  0.0000  0.4340  0.4119  1.0
]