data_MgTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.7
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   113.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2W
_chemical_formula_sum   'Mg1 Tc2 W1'
_cell_volume   61.93
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.93  0.18  0.26  1.0
  Tc  Tc2  1  0.93  0.82  0.26  1.0
  W  W3  1  0.83  0.0  0.0  1.0

data_MgTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   113.97
_cell_angle_beta   101.31
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2W
_chemical_formula_sum   'Mg1 Tc2 W1'
_cell_volume   61.93
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.26  0.93  0.18  1.0
  Tc  Tc2  1  0.26  0.93  0.82  1.0
  W  W3  1  0.0  0.83  0.0  1.0

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