data_Zn2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.72
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   117.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoRh
_chemical_formula_sum   'Zn2 Mo1 Rh1'
_cell_volume   58.89
_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
  Zn  Zn2  1  0.87  0.82  0.28  1.0
  Zn  Zn3  1  0.87  0.18  0.28  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.63  0.0  0.0  1.0

data_Zn2MoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.06
_cell_length_c   5.1
_cell_angle_alpha   116.48
_cell_angle_beta   99.88
_cell_angle_gamma   101.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoRh
_chemical_formula_sum   'Zn2 Mo1 Rh1'
_cell_volume   58.89
_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
  Zn  Zn0  1  0.1  0.82  0.69  1.0
  Zn  Zn1  1  0.46  0.18  0.05  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.0  0.63  1.0

Zn Zn Mo Rh