data_[Ca2Mg2Co2H2N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.1214]
_cell_length_b [3.1214]
_cell_length_c [15.1619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaMgCoHNF]
_chemical_formula_sum '[Ca2 Mg2 Co2 H2 N2 F2]'
_cell_volume [147.7238]
_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  0.0000  0.0000  0.8335  1
  Mg  Mg1  2  0.0000  0.0000  0.5485  1
  Co  Co2  2  0.0000  0.0000  0.1727  1
  H  H3  2  0.0000  0.0000  0.2761  1
  N  N4  2  0.0000  0.0000  0.0573  1
  F  F5  2  0.0000  0.0000  0.4114  1
]