data_[Ca8Ta4P4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0923]
_cell_length_b [13.9597]
_cell_length_c [10.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2TaPN5]
_chemical_formula_sum '[Ca8 Ta4 P4 N20]'
_cell_volume [473.9248]
_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
[
  Ca  Ca0  4  0.0000  0.0832  0.6507  1
  Ca  Ca1  4  0.0000  0.1381  0.3322  1
  Ta  Ta2  4  0.0000  0.2161  0.0499  1
  P  P3  4  0.0000  0.4382  0.4141  1
  N  N4  4  0.0000  0.0427  0.9947  1
  N  N5  4  0.0000  0.2952  0.6683  1
  N  N6  4  0.0000  0.3206  0.4138  1
  N  N7  4  0.0000  0.3477  0.0100  1
  N  N8  4  0.0000  0.4962  0.2901  1
]