data_[Mn2Cr4Ag6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  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 [6.5016]
_cell_length_b [11.2441]
_cell_length_c [7.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCr2(AgSe2)3]
_chemical_formula_sum '[Mn2 Cr4 Ag6 Se12]'
_cell_volume [488.2205]
_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
  Cr  Cr1  4  0.0000  0.3336  0.0000  1.0
  Ag  Ag2  4  0.0000  0.1689  0.5000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2382  0.1684  0.2112  1.0
  Se  Se5  4  0.2329  0.5000  0.2153  1.0
]