data_Ca2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.52
_cell_angle_alpha   104.95
_cell_angle_beta   104.95
_cell_angle_gamma   59.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RhCl
_chemical_formula_sum   'Ca2 Rh1 Cl1'
_cell_volume   100.63
_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  0.04  0.0  0.16  1.0
  Ca  Ca1  1  0.7  0.0  0.02  1.0
  Rh  Rh3  1  0.37  0.0  0.59  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ca2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.52
_cell_angle_alpha   104.95
_cell_angle_beta   90.0
_cell_angle_gamma   119.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RhCl
_chemical_formula_sum   'Ca2 Rh1 Cl1'
_cell_volume   100.63
_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  0.3  0.98  1.0
  Ca  Ca1  1  0.0  0.96  0.84  1.0
  Rh  Rh2  1  0.0  0.63  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ca Ca Rh Cl