data_[Li3Mn1V4O12]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7347]
_cell_length_b [7.0436]
_cell_length_c [7.0492]
_cell_angle_alpha [86.6046]
_cell_angle_beta [74.0081]
_cell_angle_gamma [74.6303]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3MnV4O12]
_chemical_formula_sum '[Li3 Mn1 V4 O12]'
_cell_volume [263.8989]
_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  0.2608  0.2115  0.7792  1.0
  Li  Li1  1  0.7319  0.1261  0.8792  1.0
  Li  Li2  1  0.7630  0.7864  0.2122  1.0
  Mn  Mn3  1  0.2476  0.9078  0.1024  1.0
  V  V4  1  0.2310  0.3968  0.1984  1.0
  V  V5  1  0.2698  0.7842  0.6077  1.0
  V  V6  1  0.7282  0.2217  0.3999  1.0
  V  V7  1  0.7700  0.5970  0.7845  1.0
  O  O8  1  0.0207  0.6748  0.6096  1.0
  O  O9  1  0.1314  0.6388  0.1225  1.0
  O  O10  1  0.1576  0.9623  0.7875  1.0
  O  O11  1  0.3462  0.1888  0.0356  1.0
  O  O12  1  0.3742  0.8718  0.3797  1.0
  O  O13  1  0.4772  0.3883  0.3311  1.0
  O  O14  1  0.5209  0.6023  0.6726  1.0
  O  O15  1  0.6235  0.1343  0.6299  1.0
  O  O16  1  0.6432  0.7655  0.9744  1.0
  O  O17  1  0.8589  0.0312  0.2257  1.0
  O  O18  1  0.8776  0.3714  0.8669  1.0
  O  O19  1  0.9663  0.3389  0.4010  1.0
]