data_LaY2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   140.14
_cell_angle_beta   140.14
_cell_angle_gamma   57.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Rh
_chemical_formula_sum   'La1 Y2 Rh1'
_cell_volume   105.5
_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
  La  La0  1  0.0  0.0  0.59  1.0
  Y  Y2  1  0.17  0.0  0.79  1.0
  Y  Y3  1  0.0  0.17  0.79  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_LaY2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   118.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2Rh
_chemical_formula_sum   'La2 Y4 Rh2'
_cell_volume   211.0
_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
  La  La0  2  0.0  0.0  0.41  1.0
  Y  Y1  4  0.09  0.09  0.38  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

La Y Y Rh
La Y Y Rh 0 2 o o o 0 1 o o o 0 3 o o + 1 3 o o + 2 3 o o + 