data_Ca2BiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.07
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   111.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiRh
_chemical_formula_sum   'Ca2 Bi1 Rh1'
_cell_volume   109.39
_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  0.31  0.0  0.36  1.0
  Ca  Ca2  1  0.75  0.03  0.75  1.0
  Bi  Bi0  1  1.0  0.03  0.38  1.0
  Rh  Rh3  1  0.1  0.0  0.22  1.0

data_Ca2BiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.63
_cell_length_c   6.24
_cell_angle_alpha   111.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiRh
_chemical_formula_sum   'Ca2 Bi1 Rh1'
_cell_volume   109.39
_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  0.0  0.69  0.64  1.0
  Ca  Ca1  1  0.97  0.25  0.25  1.0
  Bi  Bi2  1  0.97  0.0  0.62  1.0
  Rh  Rh3  1  0.0  0.9  0.78  1.0

Ca Ca Bi Rh