data_[Er4Si4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7021]
_cell_length_b [9.7837]
_cell_length_c [5.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErSi(PN3)2]
_chemical_formula_sum '[Er4 Si4 P8 N24]'
_cell_volume [476.1050]
_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
[
  Er  Er0  4  0.0000  0.1243  0.2500  1.0
  Si  Si1  4  0.0000  0.2025  0.7500  1.0
  P  P2  8  0.1853  0.4222  0.1447  1.0
  N  N3  8  0.0937  0.2790  0.0517  1.0
  N  N4  8  0.1256  0.0865  0.7061  1.0
  N  N5  8  0.1435  0.4779  0.3838  1.0
]