data_[Sr4Ho4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0771]
_cell_length_b [4.1201]
_cell_length_c [8.6371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHoAgSe3]
_chemical_formula_sum '[Sr4 Ho4 Ag4 Se12]'
_cell_volume [627.0882]
_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  0.1312  0.0000  0.5739  1
  Ho  Ho1  4  0.1655  0.0000  0.0896  1
  Ag  Ag2  4  0.0301  0.5000  0.2123  1
  Se  Se3  4  0.1719  0.5000  0.8627  1
  Se  Se4  4  0.1836  0.5000  0.3265  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]