data_[Li3Mn1Nb4O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2833]
_cell_length_b [5.6247]
_cell_length_c [7.7122]
_cell_angle_alpha [94.9176]
_cell_angle_beta [90.0440]
_cell_angle_gamma [90.1233]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3MnNb4O12]
_chemical_formula_sum '[Li3 Mn1 Nb4 O12]'
_cell_volume [228.3359]
_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  0.0001  0.4299  0.7852  1.0
  Li  Li1  1  0.5004  0.9375  0.7843  1.0
  Li  Li2  1  0.5008  0.9372  0.2809  1.0
  Mn  Mn3  1  0.9976  0.4367  0.2798  1.0
  Nb  Nb4  1  0.0061  0.9921  0.9930  1.0
  Nb  Nb5  1  0.4980  0.5160  0.5029  1.0
  Nb  Nb6  1  0.5022  0.4978  0.9914  1.0
  Nb  Nb7  1  0.9997  0.0131  0.5005  1.0
  O  O8  1  0.1234  0.0339  0.7399  1.0
  O  O9  1  0.1795  0.3435  0.0403  1.0
  O  O10  1  0.1953  0.7198  0.4206  1.0
  O  O11  1  0.3022  0.2226  0.4223  1.0
  O  O12  1  0.3187  0.8416  0.0432  1.0
  O  O13  1  0.3758  0.5356  0.7405  1.0
  O  O14  1  0.6176  0.5363  0.2371  1.0
  O  O15  1  0.6857  0.8374  0.5440  1.0
  O  O16  1  0.6959  0.2188  0.9223  1.0
  O  O17  1  0.8039  0.7160  0.9218  1.0
  O  O18  1  0.8148  0.3389  0.5431  1.0
  O  O19  1  0.8822  0.0358  0.2366  1.0
]