data_ZrBe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.01
_cell_angle_alpha   111.05
_cell_angle_beta   111.05
_cell_angle_gamma   55.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Rh
_chemical_formula_sum   'Zr1 Be2 Rh1'
_cell_volume   55.6
_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
  Zr  Zr3  1  0.27  0.0  0.48  1.0
  Be  Be0  1  0.01  0.0  0.7  1.0
  Be  Be1  1  0.57  0.0  0.93  1.0
  Rh  Rh2  1  0.35  0.0  0.77  1.0

data_ZrBe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.85
_cell_length_c   5.01
_cell_angle_alpha   111.05
_cell_angle_beta   90.0
_cell_angle_gamma   117.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Rh
_chemical_formula_sum   'Zr1 Be2 Rh1'
_cell_volume   55.6
_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
  Zr  Zr0  1  0.0  0.73  0.52  1.0
  Be  Be1  1  0.0  0.43  0.07  1.0
  Be  Be2  1  0.0  0.99  0.3  1.0
  Rh  Rh3  1  0.0  0.65  0.23  1.0

Zr Be Be Rh
Zr Be Be Rh 0 3 o o o 1 3 o o o 2 3 o o o 