data_[Mn10Cr2Re4B4]
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
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6500]
_cell_length_b [8.6500]
_cell_length_c [2.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Cr(ReB)2]
_chemical_formula_sum '[Mn10 Cr2 Re4 B4]'
_cell_volume [210.4782]
_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  0.0659  0.2122  0.5000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Re  Re3  4  0.1779  0.6779  0.0000  1.0
  B  B4  4  0.1227  0.3773  0.0000  1.0
]