data_Li2AsPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   6.54
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   93.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AsPCO7
_chemical_formula_sum   'Li4 As2 P2 C2 O14'
_cell_volume   297.53
_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  0.08  1.0  0.07  1.0
  Li  Li1  1  0.08  0.28  0.07  1.0
  Li  Li2  1  0.4  0.55  0.86  1.0
  Li  Li3  1  0.4  0.27  0.86  1.0
  As  As4  1  0.97  0.91  0.15  1.0
  As  As5  1  0.52  0.64  0.77  1.0
  P  P6  1  0.56  0.64  0.53  1.0
  P  P7  1  0.92  0.91  0.39  1.0
  C  C8  1  0.65  0.91  0.62  1.0
  C  C9  1  0.83  0.64  0.3  1.0
  O  O10  1  0.27  0.64  0.62  1.0
  O  O11  1  0.76  0.91  0.44  1.0
  O  O12  1  0.53  0.91  0.26  1.0
  O  O13  1  0.31  0.41  0.93  1.0
  O  O14  1  0.31  0.86  0.93  1.0
  O  O15  1  0.71  0.91  0.81  1.0
  O  O16  1  0.07  0.64  0.26  1.0
  O  O17  1  0.42  0.91  0.66  1.0
  O  O18  1  0.78  0.64  0.11  1.0
  O  O19  1  0.18  0.68  0.99  1.0
  O  O20  1  0.18  0.13  0.99  1.0
  O  O21  1  0.95  0.64  0.66  1.0
  O  O22  1  0.73  0.64  0.49  1.0
  O  O23  1  0.21  0.91  0.31  1.0

data_Li2AsPCO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.1
_cell_length_b   6.54
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   93.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2AsPCO7
_chemical_formula_sum   'Li4 As2 P2 C2 O14'
_cell_volume   297.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.16  0.28  0.4  1.0
  Li  Li1  2  0.16  1.0  0.4  1.0
  As  As2  2  0.28  0.36  0.31  1.0
  P  P3  2  0.32  0.36  0.07  1.0
  C  C4  2  0.41  0.64  0.16  1.0
  O  O5  2  0.03  0.36  0.16  1.0
  O  O6  2  0.07  0.14  0.47  1.0
  O  O7  2  0.07  0.59  0.47  1.0
  O  O8  2  0.18  0.64  0.2  1.0
  O  O9  2  0.29  0.64  0.8  1.0
  O  O10  2  0.46  0.64  0.35  1.0
  O  O11  2  0.48  0.36  0.03  1.0

Li Li Li Li As As P P C C O O O O O O O O O O O O O O