data_CaCoTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   152.23
_cell_angle_beta   145.5
_cell_angle_gamma   44.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoTc
_chemical_formula_sum   'Ca1 Co1 Tc1'
_cell_volume   53.64
_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  0.0  0.04  1.0
  Co  Co1  1  0.0  0.0  0.7  1.0
  Tc  Tc2  1  0.0  0.0  0.15  1.0

data_CaCoTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.49
_cell_length_c   5.89
_cell_angle_alpha   107.25
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoTc
_chemical_formula_sum   'Ca1 Co1 Tc1'
_cell_volume   53.64
_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  0.96  0.96  0.96  1.0
  Co  Co1  1  0.3  0.3  0.3  1.0
  Tc  Tc2  1  0.85  0.85  0.85  1.0

Ca Co Tc