data_Mo2AsRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   133.7
_cell_angle_beta   133.7
_cell_angle_gamma   67.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsRh
_chemical_formula_sum   'Mo2 As1 Rh1'
_cell_volume   60.71
_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  Mo1  1  0.93  0.0  0.04  1.0
  Mo  Mo2  1  0.0  0.0  0.08  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.93  0.04  1.0

data_Mo2AsRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.91
_cell_angle_alpha   113.15
_cell_angle_beta   113.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsRh
_chemical_formula_sum   'Mo2 As1 Rh1'
_cell_volume   60.71
_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  0.04  0.11  0.11  1.0
  Mo  Mo1  1  0.08  0.08  0.08  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.11  0.04  0.11  1.0

Mo Mo As Rh
Mo Mo As Rh 0 1 + o o 1 3 o - o 1 2 o o o 