data_CaNiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.76
_cell_length_c   2.86
_cell_angle_alpha   81.77
_cell_angle_beta   74.19
_cell_angle_gamma   24.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiRh
_chemical_formula_sum   'Ca1 Ni1 Rh1'
_cell_volume   50.88
_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
  Ca  Ca0  1  0.67  0.33  0.1  1.0
  Ni  Ni1  1  0.67  0.33  0.76  1.0
  Rh  Rh2  1  0.67  0.33  0.37  1.0

data_CaNiRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.33
_cell_length_b   13.11
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   125.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNiRh
_chemical_formula_sum   'Ca2 Ni2 Rh2'
_cell_volume   101.75
_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
  Ca  Ca0  2  0.17  0.5  0.77  1.0
  Ni  Ni1  2  0.17  0.5  0.42  1.0
  Rh  Rh2  2  0.17  0.5  0.04  1.0

Ca Ni Rh