data_[Ba4La12Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.4494]
_cell_length_b [7.2160]
_cell_length_c [10.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaLa3Os]
_chemical_formula_sum '[Ba4 La12 Os4]'
_cell_volume [798.9772]
_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
[
  Ba  Ba0  4  0.0727  0.5959  0.1882  1.0
  La  La1  4  0.1944  0.0928  0.0592  1.0
  La  La2  4  0.3271  0.5687  0.9370  1.0
  La  La3  4  0.4435  0.0856  0.8255  1.0
  Os  Os4  4  0.4232  0.2436  0.5730  1.0
]