data_CaZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   136.02
_cell_angle_beta   136.02
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Re
_chemical_formula_sum   'Ca1 Zn2 Re1'
_cell_volume   70.55
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.49  1.0
  Zn  Zn3  1  0.0  0.98  0.24  1.0
  Re  Re1  1  0.98  0.0  0.24  1.0

data_CaZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.29
_cell_angle_alpha   111.99
_cell_angle_beta   111.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Re
_chemical_formula_sum   'Ca1 Zn2 Re1'
_cell_volume   70.55
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.51  0.0  0.51  1.0
  Zn  Zn2  1  0.74  0.98  0.74  1.0
  Re  Re3  1  0.76  0.0  0.74  1.0

Ca Zn Zn Re