data_[Sr4Sc16Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9422]
_cell_length_b [12.8447]
_cell_length_c [20.2792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr(Sc2Se3)2]
_chemical_formula_sum '[Sr4 Sc16 Se24]'
_cell_volume [1026.8728]
_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  0.3416  0.7500  1
  Sc  Sc1  8  0.0000  0.1391  0.0388  1
  Sc  Sc2  8  0.0000  0.4066  0.1263  1
  Se  Se3  8  0.0000  0.0426  0.1563  1
  Se  Se4  8  0.0000  0.2302  0.5850  1
  Se  Se5  4  0.0000  0.3382  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]