data_CaTc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74
_cell_length_b   9.74
_cell_length_c   9.74
_cell_angle_alpha   16.73
_cell_angle_beta   16.73
_cell_angle_gamma   16.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Rh
_chemical_formula_sum   'Ca1 Tc2 Rh1'
_cell_volume   66.75
_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
  Tc  Tc2  1  0.0  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.96  1.0
  Rh  Rh1  1  0.0  0.0  0.4  1.0

data_CaTc2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTc2Rh
_chemical_formula_sum   'Ca2 Tc4 Rh2'
_cell_volume   133.5
_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
  Tc  Tc1  2  0.0  0.0  0.04  1.0
  Tc  Tc2  2  0.0  0.0  0.16  1.0
  Rh  Rh3  2  0.0  0.0  0.6  1.0

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