data_CaMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   2.79
_cell_angle_alpha   98.05
_cell_angle_beta   98.05
_cell_angle_gamma   122.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2Rh
_chemical_formula_sum   'Ca1 Mo2 Rh1'
_cell_volume   68.74
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.92  0.43  0.33  1.0
  Mo  Mo2  1  0.92  0.57  0.33  1.0
  Rh  Rh3  1  0.65  0.0  0.0  1.0

data_CaMo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.22
_cell_length_c   5.54
_cell_angle_alpha   114.28
_cell_angle_beta   98.05
_cell_angle_gamma   103.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2Rh
_chemical_formula_sum   'Ca1 Mo2 Rh1'
_cell_volume   68.74
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.77  0.43  0.35  1.0
  Mo  Mo2  1  0.9  0.57  0.48  1.0
  Rh  Rh3  1  -0.0  0.0  0.65  1.0

Ca Mo Mo Rh