data_Y(CrFe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   98.01
_cell_angle_beta   98.01
_cell_angle_gamma   136.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(CrFe2)4
_chemical_formula_sum   'Y1 Cr4 Fe8'
_cell_volume   151.13
_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
  Y  Y12  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.97  0.0  0.0  1.0
  Cr  Cr1  1  0.13  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.13  0.0  1.0
  Cr  Cr3  1  0.0  0.97  0.0  1.0
  Fe  Fe4  1  0.02  0.02  0.15  1.0
  Fe  Fe5  1  0.02  0.02  0.85  1.0
  Fe  Fe6  1  0.98  0.02  0.15  1.0
  Fe  Fe7  1  0.02  0.98  0.15  1.0
  Fe  Fe8  1  0.0  0.75  0.3  1.0
  Fe  Fe9  1  0.05  0.3  0.0  1.0
  Fe  Fe10  1  0.3  0.05  0.0  1.0
  Fe  Fe11  1  0.75  0.0  0.3  1.0

data_Y(CrFe2)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   11.45
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y(CrFe2)4
_chemical_formula_sum   'Y2 Cr8 Fe16'
_cell_volume   302.26
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.02  0.98  0.0  1.0
  Cr  Cr2  4  0.43  0.43  0.0  1.0
  Fe  Fe3  4  0.15  0.02  0.15  1.0
  Fe  Fe4  4  0.33  0.38  -0.0  1.0
  Fe  Fe5  4  0.43  0.12  0.3  1.0
  Fe  Fe6  2  0.13  0.0  0.15  1.0
  Fe  Fe7  2  0.32  0.5  0.85  1.0

Y Cr Cr Cr Cr Fe Fe Fe Fe Fe Fe Fe Fe