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 [Pc]
_cell_length_a [9.3093]
_cell_length_b [9.3776]
_cell_length_c [12.9063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [LiMn(PO3)4]
_chemical_formula_sum '[Li4 Mn4 P16 O48]'
_cell_volume [816.8359]
_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  2  0.2583  0.0095  0.2517  1
  Li  Li1  2  0.7565  0.4865  0.7537  1
  Mn  Mn2  2  0.0161  0.2317  0.7498  1
  Mn  Mn3  2  0.5033  0.2694  0.2490  1
  P  P4  2  0.0192  0.2491  0.4991  1
  P  P5  2  0.2472  0.4814  0.4971  1
  P  P6  2  0.2519  0.0205  0.5006  1
  P  P7  2  0.4804  0.2476  0.4977  1
  P  P8  2  0.5280  0.2454  0.0019  1
  P  P9  2  0.7472  0.0278  0.0010  1
  P  P10  2  0.7497  0.4681  0.0023  1
  P  P11  2  0.9708  0.2485  0.0016  1
  O  O12  2  0.0633  0.3113  0.6272  1
  O  O13  2  0.0661  0.0603  0.8750  1
  O  O14  2  0.0685  0.3728  0.4383  1
  O  O15  2  0.1644  0.1771  0.1208  1
  O  O16  2  0.1847  0.4371  0.8722  1
  O  O17  2  0.1918  0.1311  0.5642  1
  O  O18  2  0.3042  0.1327  0.4322  1
  O  O19  2  0.3131  0.4455  0.1274  1
  O  O20  2  0.3360  0.1735  0.8809  1
  O  O21  2  0.4262  0.3735  0.5536  1
  O  O22  2  0.4331  0.0567  0.1240  1
  O  O23  2  0.4373  0.3109  0.3692  1
  O  O24  2  0.5597  0.0526  0.3820  1
  O  O25  2  0.5620  0.3190  0.1227  1
  O  O26  2  0.5636  0.3623  0.9307  1
  O  O27  2  0.6785  0.1894  0.6235  1
  O  O28  2  0.7035  0.4599  0.3785  1
  O  O29  2  0.7096  0.1359  0.0782  1
  O  O30  2  0.7929  0.4528  0.6208  1
  O  O31  2  0.7931  0.1346  0.9297  1
  O  O32  2  0.8189  0.1923  0.3759  1
  O  O33  2  0.9294  0.3216  0.8795  1
  O  O34  2  0.9319  0.3604  0.0753  1
  O  O35  2  0.9407  0.0509  0.6207  1
]