data_[Li3Mn1P2H1O8]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0953]
_cell_length_b [5.1189]
_cell_length_c [6.2756]
_cell_angle_alpha [90.6566]
_cell_angle_beta [90.1027]
_cell_angle_gamma [113.5647]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3MnP2HO8]
_chemical_formula_sum '[Li3 Mn1 P2 H1 O8]'
_cell_volume [150.0209]
_cell_formula_units_Z [1]
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  0.3831  0.7754  0.2413  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.3596  0.6401  0.7508  1.0
  H  H4  1  0.0000  0.5000  0.5000  1.0
  O  O5  2  0.2195  0.7021  0.5411  1.0
  O  O6  2  0.2450  0.7485  0.9439  1.0
  O  O7  2  0.2744  0.3124  0.7595  1.0
  O  O8  2  0.3125  0.1895  0.2654  1.0
]