data_[Ca1Tb4Nd7]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3820]
_cell_length_b [7.3658]
_cell_length_c [9.0878]
_cell_angle_alpha [89.7951]
_cell_angle_beta [76.4968]
_cell_angle_gamma [89.9934]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaTb4Nd7]
_chemical_formula_sum '[Ca1 Tb4 Nd7]'
_cell_volume [415.3932]
_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  0.0000  1
  Tb  Tb1  2  0.2195  0.5002  0.3324  1
  Tb  Tb2  2  0.2815  0.7441  0.6640  1
  Nd  Nd3  2  0.2257  0.0000  0.3409  1
  Nd  Nd4  2  0.2837  0.2545  0.6621  1
  Nd  Nd5  2  0.4990  0.7416  0.9984  1
  Nd  Nd6  1  0.0000  0.5000  0.0000  1
]