data_[Mn6Cr6B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.9014]
_cell_length_b [7.8271]
_cell_length_c [7.7459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn3Cr3B4]
_chemical_formula_sum '[Mn6 Cr6 B8]'
_cell_volume [175.9080]
_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  4  0.0000  0.2484  0.2497  1
  Mn  Mn1  2  0.5000  0.0000  0.8247  1
  Cr  Cr2  4  0.5000  0.1739  0.5012  1
  Cr  Cr3  2  0.5000  0.0000  0.1748  1
  B  B4  4  0.0000  0.1162  0.9976  1
  B  B5  2  0.0000  0.0000  0.3846  1
  B  B6  2  0.0000  0.0000  0.6188  1
]