data_[Mg2Fe2Sn4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7596]
_cell_length_b [5.7596]
_cell_length_c [11.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [MgFe(SnP2)2]
_chemical_formula_sum '[Mg2 Fe2 Sn4 P8]'
_cell_volume [380.1004]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.2500  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Sn  Sn3  2  0.0000  0.5000  0.7500  1
  P  P4  8  0.2281  0.2303  0.1165  1
]