data_MgGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   144.0
_cell_angle_beta   129.22
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaTc2
_chemical_formula_sum   'Mg1 Ga1 Tc2'
_cell_volume   60.92
_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  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.36  1.0
  Tc  Tc2  1  0.59  0.0  0.25  1.0
  Tc  Tc3  1  0.0  0.2  0.11  1.0

data_MgGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.4
_cell_length_c   5.14
_cell_angle_alpha   115.39
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaTc2
_chemical_formula_sum   'Mg1 Ga1 Tc2'
_cell_volume   60.92
_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
  Ga  Ga1  1  0.0  0.36  0.36  1.0
  Tc  Tc2  1  0.0  0.25  0.66  1.0
  Tc  Tc3  1  0.8  0.91  0.91  1.0

Mg Ga Tc Tc
Mg Ga Tc Tc 0 3 o o o 0 1 o o o 1 2 - o o 