data_[Ca6Zn2Rh2]
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 [Pmmn]
_cell_length_a [4.4409]
_cell_length_b [9.1455]
_cell_length_c [6.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca3ZnRh]
_chemical_formula_sum '[Ca6 Zn2 Rh2]'
_cell_volume [266.7255]
_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  0.0000  0.3029  0.2177  1
  Ca  Ca1  2  0.0000  0.5000  0.7531  1
  Zn  Zn2  2  0.0000  0.0000  0.5747  1
  Rh  Rh3  2  0.0000  0.0000  0.9568  1
]