data_CrPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPt3
_chemical_formula_sum   'Cr2 Pt6'
_cell_volume   111.06
_cell_formula_units_Z   2
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  0.11  0.1  1.0
  Cr  Cr1  1  0.7  0.56  0.31  1.0
  Pt  Pt2  1  0.0  0.6  0.31  1.0
  Pt  Pt3  1  0.31  0.87  0.31  1.0
  Pt  Pt4  1  0.69  0.87  0.31  1.0
  Pt  Pt5  1  0.7  0.08  0.1  1.0
  Pt  Pt6  1  0.38  0.8  0.1  1.0
  Pt  Pt7  1  0.01  0.8  0.1  1.0

data_CrPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.41
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrPt3
_chemical_formula_sum   'Cr2 Pt6'
_cell_volume   111.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.35  0.22  1.0
  Pt  Pt1  2  0.1  0.34  0.54  1.0
  Pt  Pt2  2  0.1  0.65  0.26  1.0
  Pt  Pt3  2  0.1  0.97  0.54  1.0

Cr Cr Pt Pt Pt Pt Pt Pt