data_BaMgTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71
_cell_length_b   10.71
_cell_length_c   10.71
_cell_angle_alpha   17.95
_cell_angle_beta   17.95
_cell_angle_gamma   17.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTa2
_chemical_formula_sum   'Ba1 Mg1 Ta2'
_cell_volume   101.8
_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  0.93  1.0
  Mg  Mg1  1  0.0  0.0  0.25  1.0
  Ta  Ta2  1  0.0  0.0  0.38  1.0
  Ta  Ta3  1  0.0  0.0  0.44  1.0

data_BaMgTa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   10.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgTa2
_chemical_formula_sum   'Ba2 Mg2 Ta4'
_cell_volume   203.6
_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  0.07  1.0
  Mg  Mg1  2  0.0  0.0  0.75  1.0
  Ta  Ta2  2  0.0  0.0  0.56  1.0
  Ta  Ta3  2  0.0  0.0  0.62  1.0

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