data_[Li8Mn4P4C4O28]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0291]
_cell_length_b [8.4284]
_cell_length_c [13.0626]
_cell_angle_alpha [90.3057]
_cell_angle_beta [90.0265]
_cell_angle_gamma [94.1934]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MnPCO7]
_chemical_formula_sum '[Li8 Mn4 P4 C4 O28]'
_cell_volume [552.2049]
_cell_formula_units_Z [4]
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  0.2202  0.1057  0.8831  1
  Li  Li1  1  0.2361  0.7439  0.2415  1
  Li  Li2  1  0.2436  0.7525  0.5117  1
  Li  Li3  1  0.2641  0.7320  0.0183  1
  Li  Li4  1  0.2739  0.7466  0.7350  1
  Li  Li5  1  0.7474  0.2657  0.7689  1
  Li  Li6  1  0.7525  0.2461  0.4939  1
  Li  Li7  1  0.7570  0.2354  0.2483  1
  Mn  Mn8  1  0.1957  0.3408  0.6262  1
  Mn  Mn9  1  0.2029  0.3330  0.1230  1
  Mn  Mn10  1  0.7860  0.6593  0.3765  1
  Mn  Mn11  1  0.8143  0.6583  0.8752  1
  P  P12  1  0.2636  0.4216  0.3765  1
  P  P13  1  0.2872  0.4129  0.8711  1
  P  P14  1  0.7347  0.5796  0.1225  1
  P  P15  1  0.7395  0.5890  0.6312  1
  C  C16  1  0.2667  0.0515  0.6200  1
  C  C17  1  0.2749  0.0486  0.1338  1
  C  C18  1  0.7035  0.9512  0.8661  1
  C  C19  1  0.7189  0.9447  0.3766  1
  O  O20  1  0.0261  0.0933  0.6201  1
  O  O21  1  0.0386  0.1020  0.1260  1
  O  O22  1  0.1570  0.3111  0.7813  1
  O  O23  1  0.1573  0.3341  0.4732  1
  O  O24  1  0.1620  0.3247  0.2839  1
  O  O25  1  0.1647  0.5933  0.3738  1
  O  O26  1  0.1728  0.5799  0.8785  1
  O  O27  1  0.2231  0.3099  0.9651  1
  O  O28  1  0.3206  0.9035  0.1303  1
  O  O29  1  0.3365  0.9107  0.6226  1
  O  O30  1  0.4214  0.5581  0.1196  1
  O  O31  1  0.4293  0.5738  0.6346  1
  O  O32  1  0.4543  0.1752  0.6186  1
  O  O33  1  0.4648  0.1647  0.1418  1
  O  O34  1  0.5198  0.8332  0.3788  1
  O  O35  1  0.5401  0.8177  0.8727  1
  O  O36  1  0.5777  0.4457  0.3791  1
  O  O37  1  0.5886  0.4422  0.8514  1
  O  O38  1  0.6012  0.0824  0.8526  1
  O  O39  1  0.6892  0.0912  0.3749  1
  O  O40  1  0.8315  0.6800  0.2153  1
  O  O41  1  0.8317  0.4145  0.6317  1
  O  O42  1  0.8411  0.4116  0.1265  1
  O  O43  1  0.8421  0.6713  0.0258  1
  O  O44  1  0.8479  0.6768  0.5361  1
  O  O45  1  0.8626  0.6820  0.7253  1
  O  O46  1  0.9512  0.8833  0.3757  1
  O  O47  1  0.9543  0.9316  0.8732  1
]