data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   6.5
_cell_angle_alpha   90.77
_cell_angle_beta   90.77
_cell_angle_gamma   53.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPO4
_chemical_formula_sum   'Li2 Mn2 P2 O8'
_cell_volume   152.97
_cell_formula_units_Z   2
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  0.15  0.06  0.62  1.0
  Li  Li1  1  0.39  0.06  0.89  1.0
  Mn  Mn2  1  0.77  0.37  0.25  1.0
  Mn  Mn3  1  0.82  0.42  0.0  1.0
  P  P4  1  0.93  0.02  0.89  1.0
  P  P5  1  0.6  0.02  0.61  1.0
  O  O6  1  0.18  0.26  0.64  1.0
  O  O7  1  0.49  0.66  0.61  1.0
  O  O8  1  0.44  0.68  0.18  1.0
  O  O9  1  0.34  0.5  0.9  1.0
  O  O10  1  0.19  0.5  0.6  1.0
  O  O11  1  0.09  0.68  0.33  1.0
  O  O12  1  0.05  0.66  0.9  1.0
  O  O13  1  0.35  0.26  0.86  1.0

data_LiMnPO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   5.4
_cell_length_c   6.5
_cell_angle_alpha   90.77
_cell_angle_beta   90.0
_cell_angle_gamma   116.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPO4
_chemical_formula_sum   'Li2 Mn2 P2 O8'
_cell_volume   152.97
_cell_formula_units_Z   2
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  0.94  0.55  0.11  1.0
  Li  Li1  1  0.94  0.79  0.38  1.0
  Mn  Mn2  1  0.58  0.76  0.0  1.0
  Mn  Mn3  1  0.63  0.87  0.75  1.0
  P  P4  1  0.98  0.05  0.11  1.0
  P  P5  1  0.98  0.38  0.39  1.0
  O  O6  1  0.32  0.23  0.67  1.0
  O  O7  1  0.32  0.88  0.82  1.0
  O  O8  1  0.34  0.29  0.1  1.0
  O  O9  1  0.34  0.85  0.39  1.0
  O  O10  1  0.5  0.16  0.1  1.0
  O  O11  1  0.5  0.31  0.4  1.0
  O  O12  1  0.74  0.39  0.14  1.0
  O  O13  1  0.74  0.56  0.36  1.0

Li Li Mn Mn P P O O O O O O O O