data_BaVRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.64
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   58.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVRh2
_chemical_formula_sum   'Ba1 V1 Rh2'
_cell_volume   93.55
_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  0.07  0.0  0.63  1.0
  V  V3  1  0.59  0.0  0.79  1.0
  Rh  Rh1  1  0.07  0.0  0.83  1.0
  Rh  Rh2  1  0.95  0.0  0.19  1.0

data_BaVRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.17
_cell_length_c   6.64
_cell_angle_alpha   106.42
_cell_angle_beta   90.0
_cell_angle_gamma   119.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVRh2
_chemical_formula_sum   'Ba1 V1 Rh2'
_cell_volume   93.55
_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  0.93  0.37  1.0
  V  V1  1  0.0  0.41  0.21  1.0
  Rh  Rh2  1  0.0  0.05  0.81  1.0
  Rh  Rh3  1  0.0  0.93  0.17  1.0

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