data_[Pr4Mn6B10]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.4176]
_cell_length_b [3.9107]
_cell_length_c [7.8471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pr2Mn3B5]
_chemical_formula_sum '[Pr4 Mn6 B10]'
_cell_volume [260.5083]
_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
[
  Pr  Pr0  4  0.1734  0.2221  0.7653  1.0
  Mn  Mn1  4  0.1352  0.7427  0.4064  1.0
  Mn  Mn2  2  0.0000  0.0158  0.0000  1.0
  B  B3  4  0.0222  0.5152  0.1206  1.0
  B  B4  4  0.1399  0.2324  0.3167  1.0
  B  B5  2  0.0000  0.7273  0.5000  1.0
]