data_[La2Y2Ta4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5211]
_cell_length_b [3.0976]
_cell_length_c [6.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaYTa2]
_chemical_formula_sum '[La2 Y2 Ta4]'
_cell_volume [204.0981]
_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
[
  La  La0  2  0.2469  0.5000  0.2163  1
  Y  Y1  2  0.0075  0.5000  0.5486  1
  Ta  Ta2  2  0.2530  0.0000  0.7876  1
  Ta  Ta3  2  0.4926  0.5000  0.9475  1
]