data_CrTcW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   19.8
_cell_angle_beta   19.8
_cell_angle_gamma   19.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcW2
_chemical_formula_sum   'Cr1 Tc1 W2'
_cell_volume   60.26
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.4  1.0
  W  W2  1  0.0  0.0  0.3  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_CrTcW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   101.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrTcW2
_chemical_formula_sum   'Cr2 Tc2 W4'
_cell_volume   120.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.6  1.0
  W  W2  2  0.0  0.0  0.5  1.0
  W  W3  2  0.0  0.0  0.7  1.0

Cr Tc W W
Cr Tc W W 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 1 2 o o o 1 3 o o o 