data_[Ca10Zn10Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6201]
_cell_length_b [4.2203]
_cell_length_c [11.5757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5Zn5Rh2]
_chemical_formula_sum '[Ca10 Zn10 Rh4]'
_cell_volume [569.7674]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  4  0.1213  0.5000  0.3220  1
  Ca  Ca1  4  0.2024  0.5000  0.0811  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Zn  Zn3  4  0.0621  0.0000  0.8260  1
  Zn  Zn4  4  0.2142  0.5000  0.6621  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Rh  Rh6  4  0.1070  0.5000  0.7543  1
]