data_CrSiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   129.44
_cell_angle_beta   129.44
_cell_angle_gamma   74.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiPt2
_chemical_formula_sum   'Cr1 Si1 Pt2'
_cell_volume   57.84
_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  0.69  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.98  0.85  1.0
  Pt  Pt2  1  0.98  0.0  0.85  1.0

data_CrSiPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   127.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSiPt2
_chemical_formula_sum   'Cr2 Si2 Pt4'
_cell_volume   115.67
_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  0.31  0.0  0.31  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  4  0.14  0.01  0.13  1.0

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