data_CaTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.83
_cell_angle_alpha   111.27
_cell_angle_beta   111.27
_cell_angle_gamma   34.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Sn
_chemical_formula_sum   'Ca1 Tc2 Sn1'
_cell_volume   76.65
_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  0.44  0.0  0.33  1.0
  Tc  Tc2  1  0.34  0.0  0.01  1.0
  Tc  Tc3  1  0.57  0.0  0.42  1.0
  Sn  Sn1  1  0.29  0.0  0.94  1.0

data_CaTc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.83
_cell_length_c   5.52
_cell_angle_alpha   111.27
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Sn
_chemical_formula_sum   'Ca1 Tc2 Sn1'
_cell_volume   76.65
_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  0.33  0.44  1.0
  Tc  Tc1  1  0.0  0.01  0.34  1.0
  Tc  Tc2  1  0.0  0.42  0.57  1.0
  Sn  Sn3  1  0.0  0.94  0.29  1.0

Ca Tc Tc Sn