data_[Li3Mn3Fe1O8]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9480]
_cell_length_b [5.9597]
_cell_length_c [5.9632]
_cell_angle_alpha [89.5146]
_cell_angle_beta [60.2011]
_cell_angle_gamma [60.2426]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Mn3FeO8]
_chemical_formula_sum '[Li3 Mn3 Fe1 O8]'
_cell_volume [151.0777]
_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
[
  Li  Li0  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Mn  Mn3  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn4  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn5  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe6  1  0.0000  0.0000  0.0000  1.0
  O  O7  2  0.0368  0.2087  0.2336  1.0
  O  O8  2  0.0423  0.2015  0.7220  1.0
  O  O9  2  0.4712  0.7803  0.7812  1.0
  O  O10  2  0.4847  0.2419  0.7757  1.0
]