data_[Mn2Ag1Se4]
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 [P2/m]
_cell_length_a [6.3213]
_cell_length_b [3.6815]
_cell_length_c [6.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn2AgSe4]
_chemical_formula_sum '[Mn2 Ag1 Se4]'
_cell_volume [153.6566]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  Mn  Mn1  1  0.5000  0.5000  0.0000  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Se  Se3  2  0.1741  0.5000  0.2184  1
  Se  Se4  2  0.3255  0.0000  0.7909  1
]