data_[Pr4Mn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3464]
_cell_length_b [3.9290]
_cell_length_c [10.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrMnSi2]
_chemical_formula_sum '[Pr4 Mn4 Si8]'
_cell_volume [293.3870]
_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
[
  Pr  Pr0  4  0.1368  0.7500  0.1294  1.0
  Mn  Mn1  4  0.0074  0.2500  0.3940  1.0
  Si  Si2  4  0.1710  0.7500  0.8132  1.0
  Si  Si3  4  0.2019  0.7500  0.4308  1.0
]