data_[Mn4Ag4Sn4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7716]
_cell_length_b [8.0144]
_cell_length_c [11.0472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnAgSnSe4]
_chemical_formula_sum '[Mn4 Ag4 Sn4 Se16]'
_cell_volume [688.0698]
_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
[
  Mn  Mn0  4  0.2500  0.2500  0.2500  1.0
  Ag  Ag1  4  0.0000  0.2500  0.6397  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0000  0.0358  0.2480  1.0
  Se  Se4  8  0.2464  0.2500  0.0234  1.0
]