data_[La8Mn4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1585]
_cell_length_b [18.8410]
_cell_length_c [11.1383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2MnAgSe5]
_chemical_formula_sum '[La8 Mn4 Ag4 Se20]'
_cell_volume [872.6832]
_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
[
  La  La0  8  0.0000  0.1225  0.0293  1.0
  Mn  Mn1  4  0.0000  0.2181  0.7500  1.0
  Ag  Ag2  4  0.0000  0.4973  0.2500  1.0
  Se  Se3  8  0.0000  0.2812  0.0990  1.0
  Se  Se4  4  0.0000  0.0884  0.7500  1.0
  Se  Se5  4  0.0000  0.3582  0.7500  1.0
  Se  Se6  4  0.0000  0.5000  0.0000  1.0
]