data_CaBeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   145.36
_cell_angle_beta   121.57
_cell_angle_gamma   69.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBeRh2
_chemical_formula_sum   'Ca1 Be1 Rh2'
_cell_volume   62.27
_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  Ca1  1  0.0  0.0  0.16  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.48  0.47  1.0
  Rh  Rh3  1  0.51  0.0  0.7  1.0

data_CaBeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.95
_cell_length_c   5.07
_cell_angle_alpha   119.22
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBeRh2
_chemical_formula_sum   'Ca1 Be1 Rh2'
_cell_volume   62.27
_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  0.84  0.84  0.84  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.53  0.01  0.01  1.0
  Rh  Rh3  1  0.81  0.3  0.81  1.0

Ca Be Rh Rh
Ca Be Rh Rh 0 1 o o o 0 2 o o o 0 3 o o o 0 3 - o - 1 2 o - - 1 2 o o o 1 3 - o - 2 3 - o - 