data_[Ca2Mg4Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9380]
_cell_length_b [3.1875]
_cell_length_c [5.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaMg2Fe]
_chemical_formula_sum '[Ca2 Mg4 Fe2]'
_cell_volume [178.7572]
_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  0.4693  0.0000  0.4290  1
  Mg  Mg1  2  0.0386  0.0000  0.9834  1
  Mg  Mg2  2  0.2664  0.0000  0.7822  1
  Fe  Fe3  2  0.2257  0.5000  0.3053  1
]