data_[Li4Mn6P8O28]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.4573]
_cell_length_b [7.3875]
_cell_length_c [13.9063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li2Mn3(P2O7)2]
_chemical_formula_sum '[Li4 Mn6 P8 O28]'
_cell_volume [661.8643]
_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  2  0.0137  0.6765  0.4333  1
  Li  Li1  2  0.4321  0.3094  0.9507  1
  Mn  Mn2  2  0.1695  0.9826  0.9007  1
  Mn  Mn3  2  0.2700  0.1210  0.2750  1
  Mn  Mn4  2  0.4535  0.1443  0.6115  1
  P  P5  2  0.1026  0.8065  0.1094  1
  P  P6  2  0.1247  0.8079  0.6752  1
  P  P7  2  0.3505  0.5160  0.5831  1
  P  P8  2  0.3618  0.4874  0.1732  1
  O  O9  2  0.0652  0.2145  0.3739  1
  O  O10  2  0.1124  0.8236  0.7836  1
  O  O11  2  0.1254  0.2925  0.9272  1
  O  O12  2  0.1491  0.8949  0.2063  1
  O  O13  2  0.1503  0.5847  0.1235  1
  O  O14  2  0.1813  0.9835  0.6241  1
  O  O15  2  0.2108  0.3509  0.5949  1
  O  O16  2  0.2519  0.8689  0.0336  1
  O  O17  2  0.3103  0.6100  0.4851  1
  O  O18  2  0.3204  0.6670  0.6661  1
  O  O19  2  0.3396  0.2852  0.1535  1
  O  O20  2  0.3676  0.5306  0.2800  1
  O  O21  2  0.4229  0.9595  0.3911  1
  O  O22  2  0.4677  0.0789  0.8819  1
]