data_Cr2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BPt
_chemical_formula_sum   'Cr2 B1 Pt1'
_cell_volume   46.15
_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  0.79  0.0  0.79  1.0
  Cr  Cr2  1  0.0  0.0  0.59  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.79  0.79  1.0

data_Cr2BPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   4.39
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BPt
_chemical_formula_sum   'Cr2 B1 Pt1'
_cell_volume   46.15
_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  0.21  0.0  1.0  1.0
  Cr  Cr1  1  0.41  0.0  0.41  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  1.0  0.79  1.0  1.0

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