data_[Sr4Sm4Sc4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  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 [5.7010]
_cell_length_b [12.2918]
_cell_length_c [5.8818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrSmScO4]
_chemical_formula_sum '[Sr4 Sm4 Sc4 O16]'
_cell_volume [412.1697]
_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  0.3956  0.0115  1.0
  Sm  Sm1  4  0.0000  0.1060  0.9905  1.0
  Sc  Sc2  4  0.0000  0.2540  0.4945  1.0
  O  O3  8  0.2404  0.7783  0.7350  1.0
  O  O4  4  0.0000  0.0674  0.6051  1.0
  O  O5  4  0.0000  0.4163  0.4283  1.0
]