data_[Sr6Ca2N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1899]
_cell_length_b [3.8493]
_cell_length_c [6.6708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr3Ca(NCl)2]
_chemical_formula_sum '[Sr6 Ca2 N4 Cl4]'
_cell_volume [359.9370]
_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  0.1507  0.0000  0.3822  1.0
  Sr  Sr1  2  0.3432  0.5000  0.6154  1.0
  Sr  Sr2  2  0.3456  0.0000  0.1141  1.0
  Ca  Ca3  2  0.1615  0.5000  0.8901  1.0
  N  N4  2  0.2460  0.0000  0.7551  1.0
  N  N5  2  0.2479  0.5000  0.2426  1.0
  Cl  Cl6  2  0.0002  0.5000  0.5079  1.0
  Cl  Cl7  2  0.0049  0.0000  0.9926  1.0
]