data_[Mn2Al2Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9416]
_cell_length_b [5.9416]
_cell_length_c [11.4717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [MnAl(AgSe2)2]
_chemical_formula_sum '[Mn2 Al2 Ag4 Se8]'
_cell_volume [404.9837]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.5000  0.2500  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.7500  1
  Se  Se4  8  0.2196  0.2536  0.3736  1
]