data_[Ca2Tb2Pr2]
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 [Pmmn]
_cell_length_a [3.7125]
_cell_length_b [5.0957]
_cell_length_c [11.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CaTbPr]
_chemical_formula_sum '[Ca2 Tb2 Pr2]'
_cell_volume [216.8909]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0928  1.0
  Tb  Tb1  2  0.0000  0.5000  0.4255  1.0
  Pr  Pr2  2  0.0000  0.5000  0.7306  1.0
]