data_[Mn2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8523]
_cell_length_b [3.8093]
_cell_length_c [9.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnSnSe3]
_chemical_formula_sum '[Mn2 Sn2 Se6]'
_cell_volume [249.9942]
_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  0.0702  0.7500  0.8268  1.0
  Sn  Sn1  2  0.4325  0.7500  0.1900  1.0
  Se  Se2  2  0.0743  0.7500  0.3144  1.0
  Se  Se3  2  0.2080  0.2500  0.9880  1.0
  Se  Se4  2  0.3636  0.7500  0.6695  1.0
]