data_[Ca1Tb1Pr1]
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
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6924]
_cell_length_b [3.6924]
_cell_length_c [9.2095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CaTbPr]
_chemical_formula_sum '[Ca1 Tb1 Pr1]'
_cell_volume [108.7380]
_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  0.9960  1.0
  Tb  Tb1  1  0.6667  0.3333  0.6548  1.0
  Pr  Pr2  1  0.3333  0.6667  0.3493  1.0
]