data_[Mn2Ag2Se4]
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 [Pm]
_cell_length_a [6.4329]
_cell_length_b [3.5745]
_cell_length_c [8.0540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnAgSe2]
_chemical_formula_sum '[Mn2 Ag2 Se4]'
_cell_volume [183.3436]
_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  1  0.4043  0.0000  0.9983  1.0
  Mn  Mn1  1  0.5155  0.5000  0.3641  1.0
  Ag  Ag2  1  0.1658  0.0000  0.5979  1.0
  Ag  Ag3  1  0.5417  0.5000  0.7303  1.0
  Se  Se4  1  0.1606  0.5000  0.8631  1.0
  Se  Se5  1  0.2471  0.0000  0.2845  1.0
  Se  Se6  1  0.6741  0.5000  0.0784  1.0
  Se  Se7  1  0.7289  0.0000  0.5322  1.0
]