data_[Pa12Te12C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5844]
_cell_length_b [12.1767]
_cell_length_c [7.3999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa3Te3C]
_chemical_formula_sum '[Pa12 Te12 C4]'
_cell_volume [755.1852]
_cell_formula_units_Z [4]
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
[
  Pa  Pa0  8  0.2117  0.3511  0.7081  1
  Pa  Pa1  4  0.0986  0.0000  0.8242  1
  Te  Te2  4  0.0000  0.1636  0.5000  1
  Te  Te3  4  0.0000  0.2571  0.0000  1
  Te  Te4  4  0.0995  0.5000  0.3375  1
  C  C5  4  0.1668  0.0000  0.1399  1
]