data_MgTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   24.65
_cell_angle_beta   24.65
_cell_angle_gamma   24.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaSb2
_chemical_formula_sum   'Mg1 Ta1 Sb2'
_cell_volume   93.45
_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  Ta3  1  0.0  0.0  0.34  1.0
  Sb  Sb1  1  0.0  0.0  0.03  1.0
  Sb  Sb2  1  0.0  0.0  0.64  1.0

data_MgTaSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   3.62
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTaSb2
_chemical_formula_sum   'Mg2 Ta2 Sb4'
_cell_volume   186.89
_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  2  -0.0  0.0  0.66  1.0
  Sb  Sb2  2  -0.0  0.0  0.36  1.0
  Sb  Sb3  2  0.0  0.0  0.97  1.0

Mg Ta Sb Sb