data_[Li4Mn4P16O48]
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 [C2/m]
_cell_length_a [16.7720]
_cell_length_b [12.1066]
_cell_length_c [5.2313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMn(PO3)4]
_chemical_formula_sum '[Li4 Mn4 P16 O48]'
_cell_volume [1043.9585]
_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  4  0.0740  0.5000  0.5846  1
  Mn  Mn1  4  0.2500  0.2500  0.0000  1
  P  P2  8  0.0767  0.2912  0.1812  1
  P  P3  8  0.1832  0.1215  0.4837  1
  O  O4  8  0.0504  0.3880  0.3185  1
  O  O5  8  0.1025  0.1915  0.3843  1
  O  O6  8  0.1411  0.3086  0.0165  1
  O  O7  8  0.2023  0.1291  0.7782  1
  O  O8  8  0.2492  0.1464  0.3361  1
  O  O9  4  0.0000  0.2325  0.0000  1
  O  O10  4  0.1467  0.0000  0.4170  1
]