data_Ca5(InP3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26
_cell_length_b   13.09
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(InP3)2
_chemical_formula_sum   'Ca10 In4 P12'
_cell_volume   615.76
_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
  Ca  Ca0  1  0.22  0.41  0.0  1.0
  Ca  Ca1  1  0.03  0.68  0.0  1.0
  Ca  Ca2  1  0.59  0.13  0.0  1.0
  Ca  Ca3  1  0.66  0.96  0.0  1.0
  Ca  Ca4  1  0.01  0.31  0.0  1.0
  Ca  Ca5  1  0.25  0.79  0.0  1.0
  Ca  Ca6  1  0.63  0.24  0.0  1.0
  Ca  Ca7  1  0.62  0.85  0.0  1.0
  Ca  Ca8  1  0.0  0.0  0.0  1.0
  Ca  Ca9  1  0.63  0.55  0.0  1.0
  In  In10  1  0.39  0.73  0.09  1.0
  In  In11  1  0.86  0.37  0.09  1.0
  In  In12  1  0.76  0.82  0.09  1.0
  In  In13  1  0.49  0.27  0.09  1.0
  P  P14  1  0.34  0.26  0.09  1.0
  P  P15  1  0.92  0.84  0.09  1.0
  P  P16  1  0.71  0.29  0.09  1.0
  P  P17  1  0.55  0.8  0.09  1.0
  P  P18  1  0.46  0.27  0.0  1.0
  P  P19  1  0.8  0.83  0.0  1.0
  P  P20  1  0.83  0.28  0.0  1.0
  P  P21  1  0.42  0.81  0.0  1.0
  P  P22  1  0.3  0.45  0.09  1.0
  P  P23  1  0.96  0.64  0.09  1.0
  P  P24  1  0.92  0.1  0.09  1.0
  P  P25  1  0.33  1.0  0.09  1.0

data_Ca5(InP3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   11.26
_cell_length_c   13.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(InP3)2
_chemical_formula_sum   'Ca10 In4 P12'
_cell_volume   615.76
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.0  0.63  0.55  1.0
  Ca  Ca2  1  0.0  0.03  0.68  1.0
  Ca  Ca3  1  0.0  0.59  0.13  1.0
  Ca  Ca4  1  0.0  0.01  0.31  1.0
  Ca  Ca5  1  0.0  0.63  0.24  1.0
  Ca  Ca6  1  0.0  0.62  0.85  1.0
  Ca  Ca7  1  0.0  0.25  0.79  1.0
  Ca  Ca8  1  0.0  0.66  0.96  1.0
  Ca  Ca9  1  0.0  0.22  0.41  1.0
  In  In10  1  0.09  0.39  0.73  1.0
  In  In11  1  0.09  0.49  0.27  1.0
  In  In12  1  0.09  0.76  0.82  1.0
  In  In13  1  0.09  0.86  0.37  1.0
  P  P14  1  0.0  0.83  0.28  1.0
  P  P15  1  0.0  0.8  0.83  1.0
  P  P16  1  0.0  0.46  0.27  1.0
  P  P17  1  0.0  0.42  0.81  1.0
  P  P18  1  0.09  0.3  0.45  1.0
  P  P19  1  0.09  0.33  1.0  1.0
  P  P20  1  0.09  0.34  0.26  1.0
  P  P21  1  0.09  0.55  0.8  1.0
  P  P22  1  0.09  0.71  0.29  1.0
  P  P23  1  0.09  0.92  0.84  1.0
  P  P24  1  0.09  0.92  0.1  1.0
  P  P25  1  0.09  0.96  0.64  1.0

Ca Ca Ca Ca Ca Ca Ca Ca Ca Ca In In In In P P P P P P P P P P P P
Ca Ca Ca Ca Ca Ca Ca Ca Ca Ca In In In In P P P P P P P P P P P P 0 22 o o o 1 23 - o o 2 6 o o o 3 7 o o o 4 20 - o o 4 11 - o o 5 10 o o o 5 21 o o o 5 25 o o o 6 16 o o o 6 9 o o o 7 17 o o o 7 9 o o o 8 24 - o o 9 22 o o o 9 18 o o o 9 13 o o o 9 21 o o o 9 17 o o o 9 10 o o o 9 20 o o o 9 16 o o o 9 11 o o o 9 9 o o + 9 23 o o o 9 19 o o o 9 12 o o o 10 21 o o o 11 20 o o o 12 19 o o o 13 18 o o o 14 18 o o o 14 25 o - o 15 19 o o o 16 20 o o o 17 21 o o o 21 25 o o o 