data_[Ce16Pu4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5656]
_cell_length_b [9.2506]
_cell_length_c [7.1953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce4PuOs2]
_chemical_formula_sum '[Ce16 Pu4 Os8]'
_cell_volume [691.9969]
_cell_formula_units_Z [4]
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  4  0.3601  0.2519  0.2746  1
  Ce  Ce1  4  0.3755  0.2163  0.7858  1
  Ce  Ce2  2  0.1192  0.5000  0.9610  1
  Ce  Ce3  2  0.1249  0.0000  0.4169  1
  Ce  Ce4  2  0.1340  0.5000  0.4656  1
  Ce  Ce5  2  0.1412  0.0000  0.9179  1
  Pu  Pu6  2  0.3302  0.5000  0.8913  1
  Pu  Pu7  2  0.4159  0.5000  0.4973  1
  Os  Os8  4  0.1078  0.2521  0.6867  1
  Os  Os9  2  0.3843  0.0000  0.5041  1
  Os  Os10  2  0.4129  0.0000  0.1018  1
]