data_LiBe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Rh
_chemical_formula_sum   'Li1 Be2 Rh1'
_cell_volume   47.4
_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
  Li  Li2  1  0.0  0.0  0.94  1.0
  Be  Be0  1  0.0  0.0  0.01  1.0
  Be  Be1  1  0.4  0.0  0.1  1.0
  Rh  Rh3  1  0.4  0.0  0.78  1.0

data_LiBe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Rh
_chemical_formula_sum   'Li1 Be2 Rh1'
_cell_volume   47.4
_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
  Li  Li0  1  0.0  0.0  0.94  1.0
  Be  Be1  1  0.0  0.0  0.01  1.0
  Be  Be2  1  0.4  0.0  0.1  1.0
  Rh  Rh3  1  0.4  0.0  0.78  1.0

Li Be Be Rh
Li Be Be Rh 0 1 o o + 0 3 o o o 0 3 - o o 1 2 o o o 