data_CaMnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.32
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   99.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnRh2
_chemical_formula_sum   'Ca1 Mn1 Rh2'
_cell_volume   66.84
_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  0.89  0.0  0.5  1.0
  Mn  Mn1  1  0.99  0.16  0.64  1.0
  Rh  Rh2  1  0.83  0.0  0.09  1.0
  Rh  Rh3  1  0.27  0.16  0.27  1.0

data_CaMnRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.32
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   99.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnRh2
_chemical_formula_sum   'Ca1 Mn1 Rh2'
_cell_volume   66.84
_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  0.89  0.0  0.5  1.0
  Mn  Mn1  1  0.99  0.16  0.64  1.0
  Rh  Rh2  1  0.27  0.16  0.27  1.0
  Rh  Rh3  1  0.83  0.0  0.09  1.0

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