data_CaTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   135.76
_cell_angle_beta   123.07
_cell_angle_gamma   74.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Ag
_chemical_formula_sum   'Ca1 Tc2 Ag1'
_cell_volume   76.31
_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  Ca1  1  0.0  0.0  0.21  1.0
  Tc  Tc2  1  0.93  0.0  0.28  1.0
  Tc  Tc3  1  0.0  0.0  0.71  1.0
  Ag  Ag0  1  0.93  0.0  0.99  1.0

data_CaTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.88
_cell_length_c   5.11
_cell_angle_alpha   118.47
_cell_angle_beta   112.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Ag
_chemical_formula_sum   'Ca1 Tc2 Ag1'
_cell_volume   76.31
_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  0.21  0.21  1.0
  Tc  Tc1  1  0.0  0.28  0.35  1.0
  Tc  Tc2  1  0.0  0.71  0.71  1.0
  Ag  Ag3  1  0.0  0.99  0.06  1.0

Ca Tc Tc Ag