data_[La8Be4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7716]
_cell_length_b [12.0505]
_cell_length_c [6.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2BeTc]
_chemical_formula_sum '[La8 Be4 Tc4]'
_cell_volume [367.7630]
_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  4  0.0000  0.0612  0.2500  1
  La  La1  4  0.0000  0.2358  0.7500  1
  Be  Be2  4  0.0000  0.5000  0.0000  1
  Tc  Tc3  4  0.0000  0.3686  0.2500  1
]