data_[Mn10Al2B4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6850]
_cell_length_b [8.6850]
_cell_length_c [2.9350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Al(BMo)2]
_chemical_formula_sum '[Mn10 Al2 B4 Mo4]'
_cell_volume [221.3825]
_cell_formula_units_Z [2]
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  8  0.0675  0.7814  0.5000  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  B  B3  4  0.1226  0.6226  0.0000  1
  Mo  Mo4  4  0.1768  0.3232  0.0000  1
]