data_CrSi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.69
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2P
_chemical_formula_sum   'Cr1 Si2 P1'
_cell_volume   50.19
_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  0.0  0.0  0.44  1.0
  Si  Si2  1  0.4  0.84  0.29  1.0
  Si  Si3  1  0.4  0.84  0.59  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_CrSi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.69
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2P
_chemical_formula_sum   'Cr1 Si2 P1'
_cell_volume   50.19
_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  0.0  0.0  0.44  1.0
  Si  Si1  1  0.4  0.84  0.29  1.0
  Si  Si2  1  0.4  0.84  0.59  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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