data_MoRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   4.64
_cell_angle_alpha   98.53
_cell_angle_beta   98.53
_cell_angle_gamma   27.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhCl2
_chemical_formula_sum   'Mo1 Rh1 Cl2'
_cell_volume   82.31
_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
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.65  0.0  0.29  1.0
  Cl  Cl0  1  0.65  0.0  0.55  1.0
  Cl  Cl1  1  0.64  0.0  0.03  1.0

data_MoRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.64
_cell_length_c   6.19
_cell_angle_alpha   98.53
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhCl2
_chemical_formula_sum   'Mo1 Rh1 Cl2'
_cell_volume   82.31
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.29  0.65  1.0
  Cl  Cl2  1  0.0  0.03  0.64  1.0
  Cl  Cl3  1  0.0  0.55  0.65  1.0

Mo Rh Cl Cl