data_Co2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiP
_chemical_formula_sum   'Co2 Si1 P1'
_cell_volume   48.3
_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  0.32  0.32  0.9  1.0
  Co  Co1  1  0.0  0.0  0.79  1.0
  Si  Si3  1  0.0  0.0  0.5  1.0
  P  P2  1  0.32  0.32  0.06  1.0

data_Co2SiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2SiP
_chemical_formula_sum   'Co4 Si2 P2'
_cell_volume   96.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.79  1.0
  Co  Co1  2  0.32  0.0  0.9  1.0
  Si  Si2  2  0.0  0.0  0.5  1.0
  P  P3  2  0.32  0.0  0.06  1.0

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