data_[Sr3Zn2In2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4869]
_cell_length_b [4.4869]
_cell_length_c [16.4603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Zn2(InGe2)2]
_chemical_formula_sum '[Sr3 Zn2 In2 Ge4]'
_cell_volume [286.9883]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2686  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.3333  0.6667  0.8646  1.0
  In  In3  2  0.3333  0.6667  0.4369  1.0
  Ge  Ge4  2  0.3333  0.6667  0.1334  1.0
  Ge  Ge5  2  0.3333  0.6667  0.6166  1.0
]