data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.65
_cell_angle_alpha   105.05
_cell_angle_beta   105.05
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPO4
_chemical_formula_sum   'Li2 Mn2 P2 O8'
_cell_volume   184.95
_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  0.89  0.96  0.15  1.0
  Li  Li1  1  0.2  0.04  0.03  1.0
  Mn  Mn2  1  0.69  0.57  0.05  1.0
  Mn  Mn3  1  0.39  0.43  0.17  1.0
  P  P4  1  0.12  0.98  0.04  1.0
  P  P5  1  0.81  0.02  0.16  1.0
  O  O6  1  0.31  0.51  0.25  1.0
  O  O7  1  0.01  0.49  0.37  1.0
  O  O8  1  0.16  0.92  0.77  1.0
  O  O9  1  0.85  0.08  0.89  1.0
  O  O10  1  0.47  0.35  0.31  1.0
  O  O11  1  0.16  0.65  0.43  1.0
  O  O12  1  0.87  0.32  0.95  1.0
  O  O13  1  0.57  0.68  0.08  1.0

data_LiMnPO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.65
_cell_angle_alpha   74.95
_cell_angle_beta   74.95
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPO4
_chemical_formula_sum   'Li2 Mn2 P2 O8'
_cell_volume   184.95
_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  0.11  0.04  0.15  1.0
  Li  Li1  1  0.8  0.96  0.03  1.0
  Mn  Mn2  1  0.31  0.43  0.05  1.0
  Mn  Mn3  1  0.61  0.57  0.17  1.0
  P  P4  1  0.19  0.98  0.16  1.0
  P  P5  1  0.88  0.02  0.04  1.0
  O  O6  1  0.13  0.68  0.95  1.0
  O  O7  1  0.15  0.92  0.89  1.0
  O  O8  1  0.43  0.32  0.08  1.0
  O  O9  1  0.53  0.65  0.31  1.0
  O  O10  1  0.69  0.49  0.25  1.0
  O  O11  1  0.84  0.35  0.43  1.0
  O  O12  1  0.84  0.08  0.77  1.0
  O  O13  1  0.99  0.51  0.37  1.0

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