data_[Ba4Ge4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5432]
_cell_length_b [4.4711]
_cell_length_c [11.1906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaGePt2]
_chemical_formula_sum '[Ba4 Ge4 Pt8]'
_cell_volume [377.4167]
_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
[
  Ba  Ba0  4  0.1425  0.7500  0.1242  1.0
  Ge  Ge1  4  0.0184  0.2500  0.3818  1.0
  Pt  Pt2  4  0.1618  0.7500  0.4253  1.0
  Pt  Pt3  4  0.1678  0.7500  0.8023  1.0
]