data_[Mn6Bi6Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6297]
_cell_length_b [6.8837]
_cell_length_c [17.9833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnBiSb]
_chemical_formula_sum '[Mn6 Bi6 Sb6]'
_cell_volume [449.3247]
_cell_formula_units_Z [6]
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  0.7359  0.0018  1
  Mn  Mn1  2  0.0000  0.7430  0.6677  1
  Mn  Mn2  2  0.0000  0.7873  0.3286  1
  Bi  Bi3  2  0.0000  0.1028  0.0668  1
  Bi  Bi4  2  0.0000  0.3754  0.9305  1
  Bi  Bi5  2  0.0000  0.4041  0.2710  1
  Sb  Sb6  2  0.0000  0.1029  0.7282  1
  Sb  Sb7  2  0.0000  0.1286  0.4036  1
  Sb  Sb8  2  0.0000  0.3887  0.6017  1
]