data_[Ca1Zn1Rh2]
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 [Pm]
_cell_length_a [2.9643]
_cell_length_b [4.5527]
_cell_length_c [5.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaZnRh2]
_chemical_formula_sum '[Ca1 Zn1 Rh2]'
_cell_volume [68.2314]
_cell_formula_units_Z [1]
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  1  0.2555  0.5000  0.7272  1
  Zn  Zn1  1  0.6573  0.0000  0.4827  1
  Rh  Rh2  1  0.6000  0.5000  0.2359  1
  Rh  Rh3  1  0.9872  0.0000  0.0542  1
]