data_[Sr6H2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8008]
_cell_length_b [3.9468]
_cell_length_c [10.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3HN]
_chemical_formula_sum '[Sr6 H2 N2]'
_cell_volume [268.7714]
_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
[
  Sr  Sr0  2  0.1932  0.2500  0.2572  1
  Sr  Sr1  2  0.2131  0.7500  0.5747  1
  Sr  Sr2  2  0.2672  0.2500  0.8900  1
  H  H3  2  0.4756  0.7500  0.8529  1
  N  N4  2  0.0173  0.2500  0.6683  1
]