[CIF]
data_CaSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00016428
_cell_length_b   6.00016428
_cell_length_c   5.39750715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiP3
_chemical_formula_sum   'Ca2 Si2 P6'
_cell_volume   194.32089798
_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  0.00000000  3.00008214  2.69875358  1
  Ca  Ca1  1  3.00008214  0.00000000  2.69875358  1
  P  P2  1  0.00000000  0.00000000  2.69875358  1
  P  P3  1  3.00008214  3.00008214  2.69875358  1
  P  P4  1  0.74951058  3.74959272  0.00000000  1
  P  P5  1  5.25065370  2.25057156  0.00000000  1
  P  P6  1  2.25057156  0.74951058  0.00000000  1
  P  P7  1  3.74959272  5.25065370  0.00000000  1
  Si  Si8  1  0.00000000  0.00000000  0.00000000  1
  Si  Si9  1  3.00008214  3.00008214  0.00000000  1
[/CIF]
