data_[Ca12P4H2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4494]
_cell_length_b [7.5496]
_cell_length_c [11.0906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6P2HN]
_chemical_formula_sum '[Ca12 P4 H2 N2]'
_cell_volume [445.3347]
_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  4  0.1320  0.5331  0.2463  1.0
  Ca  Ca1  4  0.2141  0.2069  0.0542  1.0
  Ca  Ca2  4  0.3668  0.6621  0.0574  1.0
  P  P3  4  0.2951  0.6082  0.7449  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]