data_CrFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   131.91
_cell_angle_beta   131.91
_cell_angle_gamma   70.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Pt
_chemical_formula_sum   'Cr1 Fe2 Pt1'
_cell_volume   51.68
_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  0.0  1.0
  Fe  Fe1  1  0.86  0.0  0.87  1.0
  Fe  Fe2  1  0.0  0.0  0.73  1.0
  Pt  Pt3  1  0.0  0.86  0.87  1.0

data_CrFe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.57
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Pt
_chemical_formula_sum   'Cr1 Fe2 Pt1'
_cell_volume   51.68
_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  0.0  1.0
  Fe  Fe1  1  0.73  0.73  0.73  1.0
  Fe  Fe2  1  0.87  0.01  0.01  1.0
  Pt  Pt3  1  0.01  0.87  0.01  1.0

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