data_[Li4La8Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2025]
_cell_length_b [17.8846]
_cell_length_c [11.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2MnSe5]
_chemical_formula_sum '[Li4 La8 Mn4 Se20]'
_cell_volume [850.6874]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.2187  0.0027  1.0
  La  La1  4  0.0000  0.1095  0.3076  1.0
  La  La2  4  0.0000  0.1263  0.6877  1.0
  Mn  Mn3  4  0.0000  0.4055  0.4831  1.0
  Se  Se4  4  0.0000  0.0327  0.0545  1.0
  Se  Se5  4  0.0000  0.2956  0.3430  1.0
  Se  Se6  4  0.0000  0.3133  0.6509  1.0
  Se  Se7  4  0.0000  0.3578  0.9983  1.0
  Se  Se8  4  0.0000  0.4806  0.2962  1.0
]