data_[Li4Mn4P4O16]
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 [7.9869]
_cell_length_b [5.0018]
_cell_length_c [8.5206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiMnPO4]
_chemical_formula_sum '[Li4 Mn4 P4 O16]'
_cell_volume [333.5901]
_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  0.1504  0.4623  0.9549  1
  Li  Li1  2  0.3658  0.0345  0.4559  1
  Mn  Mn2  2  0.0147  0.3968  0.2740  1
  Mn  Mn3  2  0.4733  0.9825  0.8226  1
  P  P4  2  0.2424  0.9934  0.0948  1
  P  P5  2  0.2700  0.5413  0.6202  1
  O  O6  2  0.0770  0.0422  0.9642  1
  O  O7  2  0.1299  0.5916  0.4712  1
  O  O8  2  0.2032  0.6477  0.7699  1
  O  O9  2  0.2096  0.1217  0.2515  1
  O  O10  2  0.2868  0.6940  0.1220  1
  O  O11  2  0.3200  0.2429  0.6433  1
  O  O12  2  0.3889  0.1467  0.0338  1
  O  O13  2  0.4303  0.7153  0.6078  1
]