data_CaMn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   137.61
_cell_angle_beta   137.61
_cell_angle_gamma   61.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Rh
_chemical_formula_sum   'Ca1 Mn2 Rh1'
_cell_volume   60.57
_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  0.85  0.0  0.2  1.0
  Mn  Mn2  1  0.0  0.85  0.2  1.0
  Rh  Rh3  1  0.0  0.0  0.41  1.0

data_CaMn2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   120.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMn2Rh
_chemical_formula_sum   'Ca2 Mn4 Rh2'
_cell_volume   121.13
_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  4  0.22  0.43  0.65  1.0
  Rh  Rh2  2  0.09  0.5  0.59  1.0

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