data_[La4Np2Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Np  1.3600  1.7500  1.0000
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6463]
_cell_length_b [7.2845]
_cell_length_c [11.5910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2NpMnS6]
_chemical_formula_sum '[La4 Np2 Mn2 S12]'
_cell_volume [471.0057]
_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
[
  La  La0  4  0.2088  0.5940  0.7452  1
  Np  Np1  2  0.5000  0.0000  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1146  0.6941  0.4390  1
  S  S4  4  0.2500  0.1844  0.4389  1
  S  S5  4  0.3649  0.5377  0.2393  1
]