data_CaMnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   18.28
_cell_angle_beta   18.28
_cell_angle_gamma   18.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnRh2
_chemical_formula_sum   'Ca1 Mn1 Rh2'
_cell_volume   62.86
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.29  1.0
  Rh  Rh2  1  0.0  0.0  0.39  1.0
  Rh  Rh3  1  0.0  0.0  0.18  1.0

data_CaMnRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMnRh2
_chemical_formula_sum   'Ca2 Mn2 Rh4'
_cell_volume   125.72
_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
  Mn  Mn1  2  0.0  0.0  0.71  1.0
  Rh  Rh2  2  0.0  0.0  0.61  1.0
  Rh  Rh3  2  0.0  0.0  0.82  1.0

Ca Mn Rh Rh
Ca Mn Rh Rh 0 3 o o o 1 3 o o o 1 2 o o o 