data_[Zr4Mn4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9215]
_cell_length_b [3.9214]
_cell_length_c [6.0732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrMnSb2]
_chemical_formula_sum '[Zr4 Mn4 Sb8]'
_cell_volume [355.2657]
_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
[
  Zr  Zr0  2  0.0523  0.0000  0.1056  1
  Zr  Zr1  2  0.2969  0.0000  0.6210  1
  Mn  Mn2  2  0.2429  0.0000  0.1380  1
  Mn  Mn3  2  0.3455  0.5000  0.3012  1
  Sb  Sb4  2  0.1635  0.5000  0.3834  1
  Sb  Sb5  2  0.1775  0.5000  0.8793  1
  Sb  Sb6  2  0.4080  0.0000  0.0471  1
  Sb  Sb7  2  0.4628  0.5000  0.6210  1
]