data_[Tb8Cu10P14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.3454]
_cell_length_b [5.3454]
_cell_length_c [19.3618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tb4Cu5P7]
_chemical_formula_sum '[Tb8 Cu10 P14]'
_cell_volume [553.2281]
_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
[
  Tb  Tb0  4  0.0000  0.5000  0.1138  1
  Tb  Tb1  2  0.0000  0.0000  0.3815  1
  Tb  Tb2  2  0.0000  0.0000  0.8870  1
  Cu  Cu3  8  0.2477  0.2477  0.2520  1
  Cu  Cu4  2  0.0000  0.0000  0.6710  1
  P  P5  8  0.2220  0.2220  0.4998  1
  P  P6  4  0.0000  0.5000  0.3262  1
  P  P7  2  0.0000  0.0000  0.1734  1
]