data_MgTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49
_cell_length_b   8.49
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2
_chemical_formula_sum   'Mg3 Ta6'
_cell_volume   168.16
_cell_formula_units_Z   3
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  0.9  0.35  1.0
  Mg  Mg1  1  0.24  0.45  0.35  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.75  0.0  0.35  1.0
  Ta  Ta4  1  0.62  0.38  0.35  1.0
  Ta  Ta5  1  0.87  0.96  0.35  1.0
  Ta  Ta6  1  0.59  0.0  0.0  1.0
  Ta  Ta7  1  0.21  0.84  0.0  1.0
  Ta  Ta8  1  0.45  0.51  0.0  1.0

data_MgTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2
_chemical_formula_sum   'Mg3 Ta6'
_cell_volume   168.16
_cell_formula_units_Z   3
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
  Mg  Mg1  1  0.35  0.0  0.9  1.0
  Mg  Mg2  1  0.35  0.24  0.45  1.0
  Ta  Ta3  1  0.0  0.59  0.0  1.0
  Ta  Ta4  1  0.0  0.45  0.51  1.0
  Ta  Ta5  1  0.0  0.21  0.84  1.0
  Ta  Ta6  1  0.35  0.62  0.38  1.0
  Ta  Ta7  1  0.35  0.75  0.0  1.0
  Ta  Ta8  1  0.35  0.87  0.96  1.0

Mg Mg Mg Ta Ta Ta Ta Ta Ta