data_Ba2CrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   6.04
_cell_angle_alpha   114.88
_cell_angle_beta   114.88
_cell_angle_gamma   44.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrRh
_chemical_formula_sum   'Ba2 Cr1 Rh1'
_cell_volume   125.57
_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
  Ba  Ba0  1  0.73  0.0  0.11  1.0
  Ba  Ba1  1  0.58  0.0  0.62  1.0
  Cr  Cr2  1  0.57  0.0  0.24  1.0
  Rh  Rh3  1  0.05  0.0  0.48  1.0

data_Ba2CrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   5.78
_cell_length_c   6.04
_cell_angle_alpha   114.88
_cell_angle_beta   90.0
_cell_angle_gamma   112.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrRh
_chemical_formula_sum   'Ba2 Cr1 Rh1'
_cell_volume   125.57
_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
  Ba  Ba0  1  0.0  0.27  0.89  1.0
  Ba  Ba1  1  0.0  0.42  0.38  1.0
  Cr  Cr2  1  0.0  0.43  0.76  1.0
  Rh  Rh3  1  0.0  0.95  0.52  1.0

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