data_LaCr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   139.31
_cell_angle_beta   139.31
_cell_angle_gamma   58.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Rh
_chemical_formula_sum   'La1 Cr2 Rh1'
_cell_volume   70.18
_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  La2  1  0.0  0.0  0.79  1.0
  Cr  Cr0  1  0.91  0.0  0.4  1.0
  Cr  Cr1  1  0.0  0.91  0.4  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_LaCr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   119.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCr2Rh
_chemical_formula_sum   'La2 Cr4 Rh2'
_cell_volume   140.36
_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  0.29  0.5  0.79  1.0
  Cr  Cr1  4  0.44  0.96  0.48  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

La Cr Cr Rh
La Cr Cr Rh 0 3 o o + 1 2 + - o 