data_BeZnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   21.04
_cell_angle_beta   21.04
_cell_angle_gamma   21.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnRh2
_chemical_formula_sum   'Be1 Zn1 Rh2'
_cell_volume   51.08
_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  Zn3  1  0.0  0.0  0.26  1.0
  Rh  Rh1  1  0.0  0.0  0.84  1.0
  Rh  Rh2  1  0.0  0.0  0.67  1.0

data_BeZnRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.8
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   102.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeZnRh2
_chemical_formula_sum   'Be2 Zn2 Rh4'
_cell_volume   102.15
_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  2  0.0  0.0  0.74  1.0
  Rh  Rh2  2  0.0  0.0  0.16  1.0
  Rh  Rh3  2  0.0  0.0  0.33  1.0

Be Zn Rh Rh
Be Zn Rh Rh 0 2 o o - 0 1 o o o 2 3 o o o 