data_CaTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   145.87
_cell_angle_beta   124.47
_cell_angle_gamma   66.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2W
_chemical_formula_sum   'Ca1 Tc2 W1'
_cell_volume   70.5
_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  Tc1  1  0.0  0.5  0.03  1.0
  Tc  Tc2  1  0.57  0.0  0.45  1.0
  W  W3  1  0.0  0.0  0.48  1.0

data_CaTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.0
_cell_length_c   5.37
_cell_angle_alpha   117.77
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2W
_chemical_formula_sum   'Ca1 Tc2 W1'
_cell_volume   70.5
_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  Tc1  1  0.0  0.45  0.88  1.0
  Tc  Tc2  1  0.5  0.53  0.53  1.0
  W  W3  1  0.0  0.48  0.48  1.0

Ca Tc Tc W
Ca Tc Tc W 0 1 o o o 0 1 o - o 0 2 - o - 0 2 o o o 0 3 o o - 0 3 o o o 1 3 o + o 1 3 o o - 1 2 - o - 2 3 + o o 
CaWTc2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent W(1), two equivalent Tc(1), and two equivalent Tc(2) atoms. There is one shorter (2.57 Å) and one longer (2.80 Å) Ca(1)-W(1) bond length. There is one shorter (2.56 Å) and one longer (2.81 Å) Ca(1)-Tc(1) bond length. There is one shorter (2.50 Å) and one longer (2.63 Å) Ca(1)-Tc(2) bond length. W(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1), one Tc(2), and two equivalent Tc(1) atoms. The W(1)-Tc(2) bond length is 2.20 Å. There is one shorter (1.52 Å) and one longer (1.67 Å) W(1)-Tc(1) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one W(1) atom.