data_[Li4Ti1Mn1W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1024]
_cell_length_b [5.3884]
_cell_length_c [7.4197]
_cell_angle_alpha [94.2870]
_cell_angle_beta [90.0010]
_cell_angle_gamma [90.0124]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4TiMn(WO6)2]
_chemical_formula_sum '[Li4 Ti1 Mn1 W2 O12]'
_cell_volume [203.4286]
_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  0.0002  0.4273  0.7843  1.0
  Li  Li1  1  0.0004  0.4278  0.2892  1.0
  Li  Li2  1  0.4990  0.9200  0.7859  1.0
  Li  Li3  1  0.5010  0.9265  0.2889  1.0
  Ti  Ti4  1  0.0026  0.9806  0.0090  1.0
  Mn  Mn5  1  0.4987  0.4991  0.5007  1.0
  W  W6  1  0.0010  0.0013  0.5049  1.0
  W  W7  1  0.4990  0.4889  0.9995  1.0
  O  O8  1  0.1198  0.0225  0.7447  1.0
  O  O9  1  0.1841  0.3290  0.0497  1.0
  O  O10  1  0.1977  0.7063  0.4319  1.0
  O  O11  1  0.3009  0.2077  0.4305  1.0
  O  O12  1  0.3201  0.8238  0.0487  1.0
  O  O13  1  0.3806  0.5221  0.7453  1.0
  O  O14  1  0.6176  0.5164  0.2460  1.0
  O  O15  1  0.6870  0.8191  0.5500  1.0
  O  O16  1  0.6923  0.2031  0.9302  1.0
  O  O17  1  0.8059  0.6999  0.9330  1.0
  O  O18  1  0.8088  0.3201  0.5511  1.0
  O  O19  1  0.8832  0.0162  0.2476  1.0
]