data_CrSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.08
_cell_length_c   2.64
_cell_angle_alpha   80.92
_cell_angle_beta   74.39
_cell_angle_gamma   24.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiP
_chemical_formula_sum   'Cr1 Si1 P1'
_cell_volume   39.19
_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  0.59  0.1  0.68  1.0
  Si  Si2  1  0.59  0.1  0.66  1.0
  P  P1  1  0.59  0.1  0.11  1.0

data_CrSiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   11.73
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   127.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSiP
_chemical_formula_sum   'Cr2 Si2 P2'
_cell_volume   78.39
_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  0.09  0.5  0.27  1.0
  Si  Si1  2  0.09  0.5  0.25  1.0
  P  P2  2  0.09  0.5  0.7  1.0

Cr Si P
Cr Si P 0 1 o o o 0 2 o o + 1 2 o o + 