data_[Mn2Ag4Sn2Se8]
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 [Pmn2_1]
_cell_length_a [8.3930]
_cell_length_b [7.4868]
_cell_length_c [7.0647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnAg2SnSe4]
_chemical_formula_sum '[Mn2 Ag4 Sn2 Se8]'
_cell_volume [443.9187]
_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  0.3439  0.5040  1.0
  Ag  Ag1  4  0.2490  0.8263  0.5161  1.0
  Sn  Sn2  2  0.0000  0.6616  0.0012  1.0
  Se  Se3  4  0.2449  0.1674  0.3918  1.0
  Se  Se4  2  0.0000  0.3420  0.8621  1.0
  Se  Se5  2  0.0000  0.6546  0.3693  1.0
]