data_LaCr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   16.74
_cell_angle_beta   16.74
_cell_angle_gamma   16.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Rh
_chemical_formula_sum   'La1 Cr2 Rh1'
_cell_volume   66.04
_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  0.34  1.0
  Cr  Cr0  1  0.0  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.0  0.53  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   4.89
_cell_length_b   2.82
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCr2Rh
_chemical_formula_sum   'La2 Cr4 Rh2'
_cell_volume   132.08
_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  0.66  1.0
  Cr  Cr1  2  0.0  0.0  0.47  1.0
  Cr  Cr2  2  0.0  0.0  0.85  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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