data_YZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.34
_cell_angle_alpha   100.11
_cell_angle_beta   100.11
_cell_angle_gamma   35.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Re
_chemical_formula_sum   'Y1 Zn2 Re1'
_cell_volume   73.36
_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  0.0  1.0
  Zn  Zn2  1  0.54  0.0  0.64  1.0
  Zn  Zn3  1  0.87  0.0  0.61  1.0
  Re  Re0  1  0.2  0.0  0.62  1.0

data_YZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.93
_cell_length_c   5.34
_cell_angle_alpha   100.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Re
_chemical_formula_sum   'Y1 Zn2 Re1'
_cell_volume   73.36
_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  Y0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.13  0.39  1.0
  Zn  Zn2  1  0.0  0.46  0.36  1.0
  Re  Re3  1  0.0  0.8  0.38  1.0

Y Zn Zn Re