data_[Mn8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.7670]
_cell_length_b [4.8823]
_cell_length_c [9.3562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MnMo]
_chemical_formula_sum '[Mn8 Mo8]'
_cell_volume [217.7536]
_cell_formula_units_Z [8]
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  4  0.1094  0.3839  0.7729  1
  Mn  Mn1  4  0.1419  0.1322  0.5611  1
  Mo  Mo2  4  0.1196  0.1244  0.3000  1
  Mo  Mo3  4  0.1258  0.6095  0.5082  1
]