data_Ca3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51
_cell_length_b   10.51
_cell_length_c   10.51
_cell_angle_alpha   20.94
_cell_angle_beta   20.94
_cell_angle_gamma   20.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Rh
_chemical_formula_sum   'Ca3 Rh1'
_cell_volume   129.94
_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  0.0  0.88  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Ca  Ca2  1  0.0  0.0  0.95  1.0
  Rh  Rh3  1  0.0  0.0  0.42  1.0

data_Ca3Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   3.82
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   102.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca3Rh
_chemical_formula_sum   'Ca6 Rh2'
_cell_volume   259.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ca  Ca1  2  0.0  0.0  0.05  1.0
  Ca  Ca2  2  0.0  0.0  0.12  1.0
  Rh  Rh3  2  -0.0  0.0  0.58  1.0

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