data_[Sr4Mg4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3391]
_cell_length_b [26.9590]
_cell_length_c [4.1014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrMgGe3]
_chemical_formula_sum '[Sr4 Mg4 Ge12]'
_cell_volume [479.7726]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.0813  0.2500  1
  Mg  Mg1  4  0.0000  0.2047  0.7500  1
  Ge  Ge2  4  0.0000  0.3061  0.7500  1
  Ge  Ge3  4  0.0000  0.3650  0.2500  1
  Ge  Ge4  4  0.0000  0.4729  0.2500  1
]