data_CaTcRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.84
_cell_angle_alpha   103.53
_cell_angle_beta   103.53
_cell_angle_gamma   31.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcRh2
_chemical_formula_sum   'Ca1 Tc1 Rh2'
_cell_volume   66.64
_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  0.64  0.0  0.72  1.0
  Tc  Tc3  1  0.22  0.0  0.01  1.0
  Rh  Rh1  1  0.04  0.0  0.62  1.0
  Rh  Rh2  1  0.09  0.0  0.39  1.0

data_CaTcRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.84
_cell_length_c   5.18
_cell_angle_alpha   103.53
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcRh2
_chemical_formula_sum   'Ca1 Tc1 Rh2'
_cell_volume   66.64
_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  0.72  0.64  1.0
  Tc  Tc1  1  0.0  0.01  0.22  1.0
  Rh  Rh2  1  0.0  0.39  0.09  1.0
  Rh  Rh3  1  0.0  0.62  0.04  1.0

Ca Tc Rh Rh