data_[Mn2Ag10Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5025]
_cell_length_b [5.3884]
_cell_length_c [7.6185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(AgSe)5]
_chemical_formula_sum '[Mn2 Ag10 Se10]'
_cell_volume [487.1974]
_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  0.0000  1.0
  Ag  Ag1  4  0.1492  0.5000  0.3534  1.0
  Ag  Ag2  4  0.1612  0.5000  0.8174  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Se  Se4  4  0.1422  0.0000  0.8298  1.0
  Se  Se5  4  0.1632  0.0000  0.3241  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]