data_[Li4Ca4Si4N8]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9740]
_cell_length_b [2.9997]
_cell_length_c [9.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCaSiN2]
_chemical_formula_sum '[Li4 Ca4 Si4 N8]'
_cell_volume [280.6287]
_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
[
  Li  Li0  4  0.1169  0.5000  0.3279  1
  Ca  Ca1  4  0.1903  0.0000  0.7495  1
  Si  Si2  4  0.0578  0.0000  0.9330  1
  N  N3  4  0.0996  0.5000  0.8704  1
  N  N4  4  0.1189  0.0000  0.1515  1
]