data_MgGaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   143.0
_cell_angle_beta   143.0
_cell_angle_gamma   53.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaTc
_chemical_formula_sum   'Mg1 Ga1 Tc1'
_cell_volume   48.71
_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  0.01  1.0
  Ga  Ga0  1  0.0  0.0  0.23  1.0
  Tc  Tc2  1  0.0  0.0  0.94  1.0

data_MgGaTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   116.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaTc
_chemical_formula_sum   'Mg2 Ga2 Tc2'
_cell_volume   97.42
_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
  Mg  Mg0  2  0.01  0.0  0.01  1.0
  Ga  Ga1  2  0.23  0.0  0.23  1.0
  Tc  Tc2  2  0.44  0.5  0.94  1.0

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