data_YZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Re
_chemical_formula_sum   'Y1 Zn2 Re1'
_cell_volume   76.12
_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  0.0  0.0  0.88  1.0
  Zn  Zn2  1  0.67  0.67  0.4  1.0
  Zn  Zn3  1  0.0  0.0  0.87  1.0
  Re  Re0  1  0.67  0.67  0.05  1.0

data_YZn2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZn2Re
_chemical_formula_sum   'Y2 Zn4 Re2'
_cell_volume   152.23
_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  0.88  1.0
  Zn  Zn1  2  0.0  0.0  0.87  1.0
  Zn  Zn2  2  0.17  0.5  0.4  1.0
  Re  Re3  2  0.17  0.5  0.05  1.0

Y Zn Zn Re
Y Zn Zn Re 0 2 o o o 0 3 - - + 1 3 o o o 2 3 - - + 