data_[Mn2Re2B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0138]
_cell_length_b [4.3274]
_cell_length_c [5.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MnReB2]
_chemical_formula_sum '[Mn2 Re2 B4]'
_cell_volume [74.4444]
_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  2  0.0000  0.1284  0.6825  1.0
  Re  Re1  2  0.5000  0.3693  0.3234  1.0
  B  B2  2  0.0000  0.3375  0.0307  1.0
  B  B3  2  0.5000  0.1222  0.9635  1.0
]