data_[Li2Ca2Sn2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5778]
_cell_length_b [3.5778]
_cell_length_c [11.1094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiCaSnN]
_chemical_formula_sum '[Li2 Ca2 Sn2 N2]'
_cell_volume [142.2060]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0556  1.0
  Ca  Ca1  2  0.0000  0.0000  0.7253  1.0
  Sn  Sn2  2  0.0000  0.0000  0.4199  1.0
  N  N3  2  0.0000  0.0000  0.2296  1.0
]