data_[Pa1Bi1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6060]
_cell_length_b [4.4253]
_cell_length_c [7.8544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PaBiTe4]
_chemical_formula_sum '[Pa1 Bi1 Te4]'
_cell_volume [245.6128]
_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
[
  Pa  Pa0  1  0.5000  0.0000  0.5000  1
  Bi  Bi1  1  0.0000  0.5000  0.5000  1
  Te  Te2  2  0.2571  0.5000  0.2609  1
  Te  Te3  2  0.2767  0.0000  0.7433  1
]