data_MgTa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   123.22
_cell_angle_beta   123.22
_cell_angle_gamma   84.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Tc
_chemical_formula_sum   'Mg1 Ta2 Tc1'
_cell_volume   68.53
_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
  Ta  Ta1  1  0.22  0.0  0.73  1.0
  Ta  Ta2  1  0.0  0.22  0.73  1.0
  Tc  Tc3  1  0.0  0.0  0.46  1.0

data_MgTa2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   132.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTa2Tc
_chemical_formula_sum   'Mg2 Ta4 Tc2'
_cell_volume   137.06
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.39  0.39  0.51  1.0
  Tc  Tc2  2  0.0  0.0  0.46  1.0

Mg Ta Ta Tc