data_[Ba4La12Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [8.2875]
_cell_length_b [16.3723]
_cell_length_c [5.6383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [BaLa3Tc]
_chemical_formula_sum '[Ba4 La12 Tc4]'
_cell_volume [765.0305]
_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  0.0000  0.3717  0.3339  1
  La  La1  4  0.0000  0.1244  0.3397  1
  La  La2  4  0.2271  0.0000  0.8414  1
  La  La3  4  0.2500  0.2500  0.8422  1
  Tc  Tc4  4  0.0000  0.1440  0.8665  1
]