data_[Ca16Te4As4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7010]
_cell_length_b [15.5946]
_cell_length_c [6.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca4TeAsN]
_chemical_formula_sum '[Ca16 Te4 As4 N4]'
_cell_volume [700.9761]
_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
[
  Ca  Ca0  8  0.2500  0.2500  0.0000  1.0
  Ca  Ca1  4  0.0000  0.0971  0.7500  1.0
  Ca  Ca2  4  0.0000  0.4168  0.7500  1.0
  Te  Te3  4  0.0000  0.1041  0.2500  1.0
  As  As4  4  0.0000  0.3874  0.2500  1.0
  N  N5  4  0.0000  0.2492  0.7500  1.0
]