data_BeZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   138.71
_cell_angle_beta   138.71
_cell_angle_gamma   59.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Re
_chemical_formula_sum   'Be1 Zn2 Re1'
_cell_volume   51.56
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.74  0.14  1.0
  Zn  Zn3  1  0.74  0.0  0.14  1.0
  Re  Re1  1  0.0  0.0  0.27  1.0

data_BeZn2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   119.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeZn2Re
_chemical_formula_sum   'Be2 Zn4 Re2'
_cell_volume   103.12
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.37  0.37  0.6  1.0
  Re  Re2  2  0.0  0.0  0.73  1.0

Be Zn Zn Re