data_[Sr4Sb8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1556]
_cell_length_b [13.6422]
_cell_length_c [14.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr(SbSe2)2]
_chemical_formula_sum '[Sr4 Sb8 Se16]'
_cell_volume [809.7907]
_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  0.3896  0.2500  1.0
  Sb  Sb1  8  0.0000  0.1336  0.0696  1.0
  Se  Se2  8  0.0000  0.2295  0.6136  1.0
  Se  Se3  4  0.0000  0.0512  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]