data_[Zr12Mn4Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6016]
_cell_length_b [13.8145]
_cell_length_c [6.5587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr3MnRh2]
_chemical_formula_sum '[Zr12 Mn4 Rh8]'
_cell_volume [416.9270]
_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  8  0.0000  0.1695  0.2423  1
  Zr  Zr1  4  0.0000  0.5000  0.2464  1
  Mn  Mn2  4  0.0000  0.3337  0.0000  1
  Rh  Rh3  4  0.0000  0.3345  0.5000  1
  Rh  Rh4  2  0.0000  0.0000  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]