data_[Mn2Ni2Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8590]
_cell_length_b [2.6534]
_cell_length_c [4.7109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnNiMo2]
_chemical_formula_sum '[Mn2 Ni2 Mo4]'
_cell_volume [109.3154]
_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  2  0.2600  0.5000  0.2473  1
  Ni  Ni1  2  0.4942  0.0000  0.5083  1
  Mo  Mo2  2  0.0059  0.0000  0.0235  1
  Mo  Mo3  2  0.2399  0.0000  0.7208  1
]