data_Mn2AlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   144.29
_cell_angle_beta   130.29
_cell_angle_gamma   62.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlMo
_chemical_formula_sum   'Mn2 Al1 Mo1'
_cell_volume   51.03
_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  0.05  0.1  1.0
  Mn  Mn2  1  0.0  0.0  0.27  1.0
  Al  Al0  1  0.0  0.0  0.04  1.0
  Mo  Mo3  1  0.0  0.05  0.09  1.0

data_Mn2AlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.1
_cell_length_c   4.88
_cell_angle_alpha   114.85
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlMo
_chemical_formula_sum   'Mn2 Al1 Mo1'
_cell_volume   51.03
_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  0.0  0.27  0.27  1.0
  Mn  Mn1  1  0.95  0.05  0.05  1.0
  Al  Al2  1  0.0  0.04  0.04  1.0
  Mo  Mo3  1  0.95  0.04  0.04  1.0

Mn Mn Al Mo