data_[Mn10Nb4Cr2B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7288]
_cell_length_b [8.7288]
_cell_length_c [2.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Nb2CrB2]
_chemical_formula_sum '[Mn10 Nb4 Cr2 B4]'
_cell_volume [225.9401]
_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
[
  Mn  Mn0  8  0.0672  0.2125  0.5000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  4  0.1752  0.6752  0.0000  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  B  B4  4  0.1220  0.3780  0.0000  1.0
]