data_[Ca10Ta2H4N8]
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
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0131]
_cell_length_b [9.6911]
_cell_length_c [5.8211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca5Ta(HN2)2]
_chemical_formula_sum '[Ca10 Ta2 H4 N8]'
_cell_volume [395.6323]
_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
[
  Ca  Ca0  8  0.2283  0.1762  0.1062  1.0
  Ca  Ca1  2  0.5000  0.0000  0.5947  1.0
  Ta  Ta2  2  0.0000  0.0000  0.5953  1.0
  H  H3  4  0.5000  0.2219  0.8058  1.0
  N  N4  4  0.0000  0.1667  0.7929  1.0
  N  N5  4  0.2227  0.0000  0.3911  1.0
]