data_[Sr12In4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8486]
_cell_length_b [7.0843]
_cell_length_c [7.2281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3InN]
_chemical_formula_sum '[Sr12 In4 N4]'
_cell_volume [685.4371]
_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
[
  Sr  Sr0  8  0.1327  0.2601  0.9717  1
  Sr  Sr1  4  0.1684  0.0000  0.5368  1
  In  In2  4  0.0787  0.5000  0.4264  1
  N  N3  4  0.2257  0.0000  0.8989  1
]