data_[Mg2Sn2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7749]
_cell_length_b [4.7873]
_cell_length_c [10.0023]
_cell_angle_alpha [83.1120]
_cell_angle_beta [83.0256]
_cell_angle_gamma [61.9394]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgSnSb]
_chemical_formula_sum '[Mg2 Sn2 Sb2]'
_cell_volume [199.7549]
_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  1  0.0983  0.5196  0.2758  1.0
  Mg  Mg1  1  0.6426  0.0579  0.0404  1.0
  Sn  Sn2  1  0.1107  0.4896  0.7018  1.0
  Sn  Sn3  1  0.4623  0.8422  0.6110  1.0
  Sb  Sb4  1  0.4290  0.8535  0.3250  1.0
  Sb  Sb5  1  0.9913  0.4081  0.9877  1.0
]