data_[Ba4Mn2Si2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1457]
_cell_length_b [5.7224]
_cell_length_c [8.1936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2MnSiPt6]
_chemical_formula_sum '[Ba4 Mn2 Si2 Pt12]'
_cell_volume [443.1611]
_cell_formula_units_Z [2]
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  0.2386  0.5000  0.1785  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt3  8  0.0312  0.2444  0.2953  1.0
  Pt  Pt4  4  0.2486  0.5000  0.6261  1.0
]