data_[Sr2In3Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5745]
_cell_length_b [4.8726]
_cell_length_c [8.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2In3Ge]
_chemical_formula_sum '[Sr2 In3 Ge1]'
_cell_volume [183.6981]
_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  1  0.0000  0.0000  0.4883  1.0
  Sr  Sr1  1  0.0000  0.5000  0.0174  1.0
  In  In2  1  0.5000  0.0000  0.1748  1.0
  In  In3  1  0.5000  0.0000  0.8308  1.0
  In  In4  1  0.5000  0.5000  0.6580  1.0
  Ge  Ge5  1  0.5000  0.5000  0.3306  1.0
]