data_DyFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   135.56
_cell_angle_beta   135.56
_cell_angle_gamma   64.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyFe3
_chemical_formula_sum   'Dy1 Fe3'
_cell_volume   61.67
_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
  Dy  Dy0  1  0.0  0.0  0.25  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.9  0.0  0.13  1.0
  Fe  Fe3  1  0.0  0.9  0.13  1.0

data_DyFe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   122.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   DyFe3
_chemical_formula_sum   'Dy2 Fe6'
_cell_volume   123.34
_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
  Dy  Dy0  2  0.0  0.0  0.25  1.0
  Fe  Fe1  4  0.05  0.05  0.22  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0

Dy Fe Fe Fe
Dy Fe Fe Fe 0 2 - o o 0 3 o - o 1 2 - o o 1 3 o - o 2 3 + - o 