data_CrSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   113.03
_cell_angle_beta   113.03
_cell_angle_gamma   102.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiP2
_chemical_formula_sum   'Cr1 Si1 P2'
_cell_volume   48.76
_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
  Cr  Cr0  1  0.0  0.0  0.5  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.21  0.25  1.0
  P  P2  1  0.21  0.0  0.25  1.0

data_CrSiP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   6.24
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   128.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSiP2
_chemical_formula_sum   'Cr2 Si2 P4'
_cell_volume   97.52
_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
  Cr  Cr0  2  0.5  0.0  0.5  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  P  P2  4  0.35  0.4  0.75  1.0

Cr Si P P