data_CoSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   150.74
_cell_angle_beta   141.55
_cell_angle_gamma   49.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSiP2
_chemical_formula_sum   'Co1 Si1 P2'
_cell_volume   51.67
_cell_formula_units_Z   1
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
  Co  Co0  1  0.0  0.83  0.88  1.0
  Si  Si3  1  0.0  0.0  0.61  1.0
  P  P1  1  0.0  0.0  0.59  1.0
  P  P2  1  0.4  0.0  0.11  1.0

data_CoSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.65
_cell_length_c   5.55
_cell_angle_alpha   109.22
_cell_angle_beta   104.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSiP2
_chemical_formula_sum   'Co1 Si1 P2'
_cell_volume   51.67
_cell_formula_units_Z   1
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
  Co  Co0  1  0.12  0.95  0.95  1.0
  Si  Si1  1  0.39  0.39  0.39  1.0
  P  P2  1  0.29  0.89  0.29  1.0
  P  P3  1  0.41  0.41  0.41  1.0

Co Si P P
Co Si P P 0 3 o + + 1 2 o o o 1 3 o o + 1 3 - o o 2 3 o o + 2 3 - o o 