data_[Zr2Pa4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0042]
_cell_length_b [4.2278]
_cell_length_c [8.8726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(PaTe3)2]
_chemical_formula_sum '[Zr2 Pa4 Te12]'
_cell_volume [681.4787]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.0000  1
  Pa  Pa1  4  0.1611  0.0000  0.3216  1
  Te  Te2  4  0.0043  0.0000  0.7678  1
  Te  Te3  4  0.1621  0.5000  0.0759  1
  Te  Te4  4  0.1687  0.5000  0.5776  1
]