data_[Mn4Ge4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6530]
_cell_length_b [4.5289]
_cell_length_c [7.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnGeB]
_chemical_formula_sum '[Mn4 Ge4 B4]'
_cell_volume [147.1421]
_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
[
  Mn  Mn0  4  0.2102  0.5000  0.8963  1
  Ge  Ge1  4  0.1540  0.0000  0.7363  1
  B  B2  4  0.0569  0.5000  0.6164  1
]