data_Mg2Ta3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   65.15
_cell_angle_beta   65.15
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ta3
_chemical_formula_sum   'Mg4 Ta6'
_cell_volume   204.55
_cell_formula_units_Z   2
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  0.2  1.0
  Mg  Mg1  1  0.0  0.0  0.3  1.0
  Mg  Mg2  1  0.0  0.0  0.7  1.0
  Mg  Mg3  1  0.0  0.0  0.8  1.0
  Ta  Ta4  1  0.48  0.0  0.25  1.0
  Ta  Ta5  1  0.76  0.32  0.25  1.0
  Ta  Ta6  1  0.76  0.68  0.25  1.0
  Ta  Ta7  1  0.24  0.68  0.75  1.0
  Ta  Ta8  1  0.52  0.0  0.75  1.0
  Ta  Ta9  1  0.24  0.32  0.75  1.0

data_Mg2Ta3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   65.15
_cell_angle_beta   65.15
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Ta3
_chemical_formula_sum   'Mg4 Ta6'
_cell_volume   204.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.0  0.2  1.0
  Mg  Mg1  2  0.0  0.0  0.3  1.0
  Ta  Ta2  2  0.0  0.48  0.25  1.0
  Ta  Ta3  2  0.32  0.76  0.25  1.0
  Ta  Ta4  2  0.32  0.24  0.75  1.0

Mg Mg Mg Mg Ta Ta Ta Ta Ta Ta