data_BaMg2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Ta
_chemical_formula_sum   'Ba1 Mg2 Ta1'
_cell_volume   101.66
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.85  0.56  1.0
  Mg  Mg2  1  0.85  0.0  0.56  1.0
  Ta  Ta3  1  0.85  0.85  0.0  1.0

data_BaMg2Ta
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.06
_cell_length_b   8.06
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMg2Ta
_chemical_formula_sum   'Ba2 Mg4 Ta2'
_cell_volume   203.32
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  4  0.43  0.43  0.56  1.0
  Ta  Ta2  2  0.35  0.5  -0.0  1.0

Ba Mg Mg Ta
Ba Mg Mg Ta 0 3 - - o 1 2 - + o 