data_[U4Mn2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2451]
_cell_length_b [7.3420]
_cell_length_c [10.9796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [U2MnSe6]
_chemical_formula_sum '[U4 Mn2 Se12]'
_cell_volume [415.3373]
_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  0.3129  0.1269  0.7542  1
  Mn  Mn1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1019  0.0350  0.2440  1
  Se  Se3  4  0.2151  0.6701  0.0559  1
  Se  Se4  4  0.4004  0.1822  0.0573  1
]