data_YZrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.61
_cell_length_c   3.22
_cell_angle_alpha   76.39
_cell_angle_beta   75.5
_cell_angle_gamma   28.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrFe
_chemical_formula_sum   'Y1 Zr1 Fe1'
_cell_volume   64.39
_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  Y1  1  0.24  0.31  0.93  1.0
  Zr  Zr2  1  0.24  0.31  0.69  1.0
  Fe  Fe0  1  0.24  0.31  0.27  1.0

data_YZrFe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.22
_cell_length_b   12.44
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YZrFe
_chemical_formula_sum   'Y2 Zr2 Fe2'
_cell_volume   128.85
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.83  1.0
  Zr  Zr1  2  0.0  0.0  0.08  1.0
  Fe  Fe2  2  0.0  0.0  0.49  1.0

Y Zr Fe
Y Zr Fe 0 1 o o o 0 2 o o + 