data_[La8Pr8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7517]
_cell_length_b [12.5058]
_cell_length_c [7.5356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr2Os]
_chemical_formula_sum '[La8 Pr8 Os4]'
_cell_volume [667.2304]
_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
[
  La  La0  8  0.0495  0.2257  0.2557  1
  Pr  Pr1  4  0.2236  0.5000  0.8927  1
  Pr  Pr2  4  0.2478  0.0000  0.6018  1
  Os  Os3  4  0.0000  0.3699  0.5000  1
]