data_[La4Sc2Mn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7247]
_cell_length_b [7.6246]
_cell_length_c [11.8118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2ScMnSe6]
_chemical_formula_sum '[La4 Sc2 Mn2 Se12]'
_cell_volume [501.5023]
_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
[
  La  La0  4  0.2027  0.1106  0.2471  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  4  0.1189  0.1808  0.9442  1.0
  Se  Se4  4  0.2662  0.6762  0.9478  1.0
  Se  Se5  4  0.3593  0.0220  0.7399  1.0
]