data_[Li4Mn4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3200]
_cell_length_b [6.6802]
_cell_length_c [5.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiMnSeO]
_chemical_formula_sum '[Li4 Mn4 Se4 O4]'
_cell_volume [227.5095]
_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  0.3533  0.2437  0.4601  1
  Mn  Mn1  4  0.0416  0.6152  0.7407  1
  Se  Se2  4  0.3118  0.5958  0.1736  1
  O  O3  4  0.1249  0.1561  0.1329  1
]