data_[Li4Mn2V2P8O28]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0546]
_cell_length_b [9.6096]
_cell_length_c [9.6417]
_cell_angle_alpha [119.4625]
_cell_angle_beta [99.4579]
_cell_angle_gamma [99.3619]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MnV(P2O7)2]
_chemical_formula_sum '[Li4 Mn2 V2 P8 O28]'
_cell_volume [538.3295]
_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  0.3241  0.9810  0.8416  1
  Li  Li1  1  0.3273  0.4825  0.3443  1
  Li  Li2  1  0.6735  0.4064  0.7666  1
  Li  Li3  1  0.6760  0.9096  0.2702  1
  Mn  Mn4  1  0.2695  0.1429  0.6420  1
  Mn  Mn5  1  0.7309  0.6070  0.6057  1
  V  V6  1  0.2726  0.6437  0.1428  1
  V  V7  1  0.7277  0.1078  0.1070  1
  P  P8  1  0.0875  0.9663  0.2497  1
  P  P9  1  0.0883  0.4610  0.7497  1
  P  P10  1  0.4780  0.7085  0.8892  1
  P  P11  1  0.4824  0.2117  0.3910  1
  P  P12  1  0.5174  0.8609  0.5394  1
  P  P13  1  0.5220  0.3600  0.0398  1
  P  P14  1  0.9103  0.9992  0.7858  1
  P  P15  1  0.9140  0.5025  0.2859  1
  O  O16  1  0.0850  0.9848  0.4175  1
  O  O17  1  0.0903  0.4815  0.9180  1
  O  O18  1  0.1122  0.0844  0.7871  1
  O  O19  1  0.1129  0.5843  0.2784  1
  O  O20  1  0.1487  0.8127  0.1383  1
  O  O21  1  0.1500  0.3068  0.6361  1
  O  O22  1  0.2468  0.6216  0.7776  1
  O  O23  1  0.2501  0.1264  0.2808  1
  O  O24  1  0.3906  0.9675  0.6389  1
  O  O25  1  0.3960  0.4645  0.1407  1
  O  O26  1  0.4820  0.3245  0.8620  1
  O  O27  1  0.4828  0.8266  0.3627  1
  O  O28  1  0.4920  0.7050  0.0479  1
  O  O29  1  0.4957  0.7041  0.5455  1
  O  O30  1  0.5031  0.2068  0.5476  1
  O  O31  1  0.5078  0.2023  0.0451  1
  O  O32  1  0.5152  0.8868  0.9256  1
  O  O33  1  0.5211  0.3898  0.4243  1
  O  O34  1  0.6043  0.1086  0.2822  1
  O  O35  1  0.6071  0.6095  0.7874  1
  O  O36  1  0.7501  0.9707  0.6263  1
  O  O37  1  0.7528  0.4720  0.1250  1
  O  O38  1  0.8463  0.1101  0.9374  1
  O  O39  1  0.8562  0.6169  0.4407  1
  O  O40  1  0.8876  0.4621  0.6656  1
  O  O41  1  0.8880  0.9701  0.1644  1
  O  O42  1  0.9087  0.8289  0.7650  1
  O  O43  1  0.9150  0.3341  0.2666  1
]