data_[Zr6As12Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4395]
_cell_length_b [3.8650]
_cell_length_c [9.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAs2Rh3]
_chemical_formula_sum '[Zr6 As12 Rh18]'
_cell_volume [592.4941]
_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
[
  Zr  Zr0  4  0.1420  0.0000  0.6717  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.0448  0.5000  0.7839  1
  As  As3  4  0.1387  0.5000  0.4502  1
  As  As4  4  0.1949  0.0000  0.1281  1
  Rh  Rh5  4  0.0381  0.0000  0.3275  1
  Rh  Rh6  4  0.1081  0.5000  0.1830  1
  Rh  Rh7  4  0.1801  0.5000  0.9527  1
  Rh  Rh8  4  0.2221  0.0000  0.3842  1
  Rh  Rh9  2  0.0000  0.5000  0.5000  1
]