data_[Sr8Co4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7065]
_cell_length_b [4.2499]
_cell_length_c [16.9502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr2CoSe3]
_chemical_formula_sum '[Sr8 Co4 Se12]'
_cell_volume [627.1809]
_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  0.0847  0.2500  0.7129  1
  Sr  Sr1  4  0.2469  0.7500  0.9582  1
  Co  Co2  4  0.1264  0.2500  0.1347  1
  Se  Se3  4  0.0015  0.7500  0.1024  1
  Se  Se4  4  0.1269  0.7500  0.5709  1
  Se  Se5  4  0.1800  0.2500  0.2745  1
]