data_[U2Mn2Ni2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2495]
_cell_length_b [3.6623]
_cell_length_c [8.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UMnNiS3]
_chemical_formula_sum '[U2 Mn2 Ni2 S6]'
_cell_volume [209.6349]
_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  2  0.1875  0.7500  0.2450  1
  Mn  Mn1  2  0.3287  0.2500  0.8277  1
  Ni  Ni2  2  0.0958  0.7500  0.5919  1
  S  S3  2  0.0912  0.7500  0.8681  1
  S  S4  2  0.2414  0.2500  0.5102  1
  S  S5  2  0.4256  0.2500  0.1546  1
]