data_CaMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   146.79
_cell_angle_beta   129.98
_cell_angle_gamma   61.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Rh
_chemical_formula_sum   'Ca1 Mg2 Rh1'
_cell_volume   86.76
_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  0.26  1.0
  Mg  Mg1  1  0.7  0.0  0.07  1.0
  Mg  Mg2  1  0.0  0.0  1.0  1.0
  Rh  Rh3  1  0.7  0.0  0.98  1.0

data_CaMg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.02
_cell_length_c   5.93
_cell_angle_alpha   115.01
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Rh
_chemical_formula_sum   'Ca1 Mg2 Rh1'
_cell_volume   86.76
_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  0.74  0.74  0.74  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.62  0.93  0.62  1.0
  Rh  Rh3  1  0.72  0.02  0.72  1.0

Ca Mg Mg Rh