data_[Li2Mn4Te2O12]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1397]
_cell_length_b [5.1836]
_cell_length_c [8.7133]
_cell_angle_alpha [89.9989]
_cell_angle_beta [92.1944]
_cell_angle_gamma [91.3294]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn2TeO6]
_chemical_formula_sum '[Li2 Mn4 Te2 O12]'
_cell_volume [231.9076]
_cell_formula_units_Z [2]
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  0.5098  0.5013  0.9058  1.0
  Li  Li1  1  0.5673  0.8934  0.1892  1.0
  Mn  Mn2  1  0.0107  0.4695  0.7618  1.0
  Mn  Mn3  1  0.0168  0.0129  0.3942  1.0
  Mn  Mn4  1  0.0193  0.5035  0.1808  1.0
  Mn  Mn5  1  0.5103  0.9920  0.6872  1.0
  Te  Te6  1  0.0123  0.9948  0.9935  1.0
  Te  Te7  1  0.5152  0.5033  0.4904  1.0
  O  O8  1  0.2059  0.8298  0.1705  1.0
  O  O9  1  0.2128  0.3094  0.9855  1.0
  O  O10  1  0.2160  0.8175  0.8478  1.0
  O  O11  1  0.2700  0.3530  0.3380  1.0
  O  O12  1  0.2993  0.8068  0.5213  1.0
  O  O13  1  0.3179  0.3120  0.6512  1.0
  O  O14  1  0.6984  0.6740  0.6742  1.0
  O  O15  1  0.7382  0.6803  0.3485  1.0
  O  O16  1  0.7458  0.2208  0.5179  1.0
  O  O17  1  0.7639  0.1514  0.8459  1.0
  O  O18  1  0.7849  0.6923  0.0249  1.0
  O  O19  1  0.8350  0.1695  0.1658  1.0
]