data_[Ca4B2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0493]
_cell_length_b [5.7746]
_cell_length_c [8.8027]
_cell_angle_alpha [72.6830]
_cell_angle_beta [87.9183]
_cell_angle_gamma [73.2096]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2BRh]
_chemical_formula_sum '[Ca4 B2 Rh2]'
_cell_volume [187.8504]
_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  2  0.1522  0.2711  0.8915  1
  Ca  Ca1  2  0.3453  0.8413  0.6693  1
  B  B2  2  0.1804  0.4016  0.5586  1
  Rh  Rh3  2  0.3061  0.6936  0.3741  1
]