data_Li3Ca2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99
_cell_length_b   12.52
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ca2P
_chemical_formula_sum   'Li12 Ca8 P4'
_cell_volume   610.23
_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  Li8  1  0.42  0.41  0.0  1.0
  Li  Li9  1  0.57  0.11  0.0  1.0
  Li  Li10  1  0.57  0.15  0.03  1.0
  Li  Li11  1  0.42  0.37  0.03  1.0
  Li  Li12  1  0.17  0.26  0.0  1.0
  Li  Li13  1  0.82  0.26  0.0  1.0
  Li  Li14  1  0.83  0.52  0.03  1.0
  Li  Li15  1  0.16  1.0  0.03  1.0
  Li  Li16  1  0.94  0.98  0.0  1.0
  Li  Li17  1  0.05  0.54  0.0  1.0
  Li  Li18  1  0.05  0.72  0.03  1.0
  Li  Li19  1  0.94  0.8  0.03  1.0
  Ca  Ca0  1  0.87  0.15  0.0  1.0
  Ca  Ca1  1  0.12  0.37  0.0  1.0
  Ca  Ca2  1  0.12  0.89  0.03  1.0
  Ca  Ca3  1  0.87  0.63  0.03  1.0
  Ca  Ca4  1  0.86  0.63  0.0  1.0
  Ca  Ca5  1  0.13  0.89  0.0  1.0
  Ca  Ca6  1  0.14  0.37  0.03  1.0
  Ca  Ca7  1  0.85  0.15  0.03  1.0
  P  P20  1  0.64  0.92  0.0  1.0
  P  P21  1  0.35  0.6  0.0  1.0
  P  P22  1  0.35  0.66  0.03  1.0
  P  P23  1  0.64  0.86  0.03  1.0

data_Li3Ca2P
_symmetry_space_group_name_H-M   P2
_cell_length_a   11.99
_cell_length_b   4.06
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Li3Ca2P
_chemical_formula_sum   'Li12 Ca8 P4'
_cell_volume   610.23
_cell_formula_units_Z   4
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  0.07  0.97  0.89  1.0
  Li  Li1  2  0.08  0.0  0.85  1.0
  Li  Li2  2  0.33  0.0  1.0  1.0
  Li  Li3  2  0.33  0.97  0.26  1.0
  Li  Li4  2  0.44  0.97  0.54  1.0
  Li  Li5  2  0.45  0.0  0.72  1.0
  Ca  Ca6  2  0.36  0.97  0.89  1.0
  Ca  Ca7  2  0.36  0.0  0.37  1.0
  Ca  Ca8  2  0.37  0.0  0.89  1.0
  Ca  Ca9  2  0.38  0.97  0.37  1.0
  P  P10  2  0.14  0.97  0.6  1.0
  P  P11  2  0.15  0.0  0.66  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Ca Ca Ca Ca Ca Ca Ca Ca P P P P