data_[Pa10Te10P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0011]
_cell_length_b [4.1549]
_cell_length_c [12.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5Te5P2]
_chemical_formula_sum '[Pa10 Te10 P4]'
_cell_volume [689.3650]
_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
[
  Pa  Pa0  4  0.1149  0.0000  0.4096  1
  Pa  Pa1  4  0.1610  0.5000  0.7896  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.1714  0.5000  0.0502  1
  Te  Te4  4  0.2434  0.5000  0.3386  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  P  P6  4  0.0325  0.0000  0.7962  1
]