data_[Ca2Yb2Fe4Si4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5961]
_cell_length_b [3.8829]
_cell_length_c [6.8601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaYbFe2Si2N]
_chemical_formula_sum '[Ca2 Yb2 Fe4 Si4 N2]'
_cell_volume [216.1039]
_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
[
  Ca  Ca0  2  0.0628  0.0000  0.3335  1
  Yb  Yb1  2  0.4402  0.5000  0.6660  1
  Fe  Fe2  2  0.1950  0.5000  0.8022  1
  Fe  Fe3  2  0.3038  0.0000  0.1979  1
  Si  Si4  2  0.1594  0.5000  0.0981  1
  Si  Si5  2  0.3400  0.0000  0.9010  1
  N  N6  2  0.4988  0.0000  0.5013  1
]