data_Cr2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BPt
_chemical_formula_sum   'Cr2 B1 Pt1'
_cell_volume   45.29
_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  Cr1  1  0.0  0.65  0.08  1.0
  Cr  Cr2  1  0.65  0.0  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.65  0.65  0.0  1.0

data_Cr2BPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2BPt
_chemical_formula_sum   'Cr4 B2 Pt2'
_cell_volume   90.59
_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  4  0.33  0.33  0.08  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.15  0.5  -0.0  1.0

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