data_[Sr4N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0520]
_cell_length_b [4.5638]
_cell_length_c [3.9512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNCl]
_chemical_formula_sum '[Sr4 N4 Cl4]'
_cell_volume [285.3515]
_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  4  0.1257  0.0000  0.6791  1
  N  N1  4  0.0258  0.0000  0.1402  1
  Cl  Cl2  4  0.1812  0.5000  0.2028  1
]