data_[Ca1Tb1Nd1Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6535]
_cell_length_b [3.6535]
_cell_length_c [10.4939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaTbNdY]
_chemical_formula_sum '[Ca1 Tb1 Nd1 Y1]'
_cell_volume [140.0763]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  1  0.0000  0.0000  0.7260  1.0
  Tb  Tb1  1  0.0000  0.0000  0.2191  1.0
  Nd  Nd2  1  0.5000  0.5000  0.4541  1.0
  Y  Y3  1  0.5000  0.5000  0.9895  1.0
]