data_[Ca2H3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7038]
_cell_length_b [3.7064]
_cell_length_c [7.3216]
_cell_angle_alpha [75.7522]
_cell_angle_beta [79.9711]
_cell_angle_gamma [84.7060]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2H3N2]
_chemical_formula_sum '[Ca2 H3 N2]'
_cell_volume [95.8018]
_cell_formula_units_Z [1]
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  1  0.2773  0.2516  0.1603  1
  Ca  Ca1  1  0.7676  0.8029  0.7794  1
  H  H2  1  0.3113  0.3610  0.6956  1
  H  H3  1  0.7340  0.6863  0.2971  1
  H  H4  1  0.8955  0.8837  0.0686  1
  N  N5  1  0.2986  0.3235  0.8428  1
  N  N6  1  0.7156  0.6910  0.1562  1
]