data_[Mn4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8413]
_cell_length_b [3.3944]
_cell_length_c [7.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnSb2]
_chemical_formula_sum '[Mn4 Sb8]'
_cell_volume [287.6720]
_cell_formula_units_Z [4]
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  0.0015  0.0000  0.0390  1
  Mn  Mn1  2  0.3363  0.0000  0.0733  1
  Sb  Sb2  2  0.1050  0.5000  0.3347  1
  Sb  Sb3  2  0.1438  0.5000  0.9291  1
  Sb  Sb4  2  0.3530  0.0000  0.7545  1
  Sb  Sb5  2  0.3939  0.5000  0.3695  1
]