data_[Ba2La6Os2]
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 [Pmma]
_cell_length_a [6.4058]
_cell_length_b [8.4856]
_cell_length_c [7.1307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BaLa3Os]
_chemical_formula_sum '[Ba2 La6 Os2]'
_cell_volume [387.6052]
_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
[
  Ba  Ba0  2  0.2500  0.0000  0.8183  1.0
  La  La1  4  0.2500  0.2589  0.3348  1.0
  La  La2  2  0.2500  0.5000  0.8343  1.0
  Os  Os3  2  0.0000  0.5000  0.5000  1.0
]