data_[U4Mn2Ni2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9696]
_cell_length_b [3.8786]
_cell_length_c [9.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2MnNiSe6]
_chemical_formula_sum '[U4 Mn2 Ni2 Se12]'
_cell_volume [425.6309]
_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
[
  U  U0  4  0.2395  0.5000  0.2399  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.0835  0.5000  0.7546  1
  Se  Se4  4  0.1366  0.0000  0.0502  1
  Se  Se5  4  0.1440  0.0000  0.4469  1
]