data_[La3Cr1In3Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6326]
_cell_length_b [7.6326]
_cell_length_c [4.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [La3CrIn3Ge2]
_chemical_formula_sum '[La3 Cr1 In3 Ge2]'
_cell_volume [226.4650]
_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
[
  La  La0  3  0.0000  0.4083  0.0000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  In  In2  3  0.0000  0.7574  0.5000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.5000  1.0
]