data_MnAlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   144.37
_cell_angle_beta   129.94
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlMo2
_chemical_formula_sum   'Mn1 Al1 Mo2'
_cell_volume   56.99
_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
  Mn  Mn1  1  0.0  0.0  0.31  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.14  0.05  1.0
  Mo  Mo3  1  0.55  0.0  0.26  1.0

data_MnAlMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.28
_cell_length_c   5.05
_cell_angle_alpha   115.03
_cell_angle_beta   107.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlMo2
_chemical_formula_sum   'Mn1 Al1 Mo2'
_cell_volume   56.99
_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
  Mn  Mn0  1  0.69  0.69  0.69  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.29  0.74  0.29  1.0
  Mo  Mo3  1  0.95  0.09  0.09  1.0

Mn Al Mo Mo