data_[Ce2Np2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3329]
_cell_length_b [6.3096]
_cell_length_c [7.6175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeNpCuS4]
_chemical_formula_sum '[Ce2 Np2 Cu2 S8]'
_cell_volume [290.4274]
_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
[
  Ce  Ce0  2  0.2379  0.2500  0.0589  1
  Np  Np1  2  0.2245  0.2500  0.5563  1
  Cu  Cu2  2  0.2425  0.7500  0.3137  1
  S  S3  4  0.0174  0.5115  0.7473  1
  S  S4  2  0.4446  0.7500  0.1167  1
  S  S5  2  0.4509  0.7500  0.6089  1
]