data_Ba2MgTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   151.01
_cell_angle_beta   130.16
_cell_angle_gamma   58.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgTa
_chemical_formula_sum   'Ba2 Mg1 Ta1'
_cell_volume   137.26
_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  0.19  1.0
  Ba  Ba1  1  0.8  0.0  0.37  1.0
  Mg  Mg2  1  0.0  0.0  0.77  1.0
  Ta  Ta3  1  0.0  0.03  0.77  1.0

data_Ba2MgTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   6.07
_cell_length_c   7.2
_cell_angle_alpha   114.92
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgTa
_chemical_formula_sum   'Ba2 Mg1 Ta1'
_cell_volume   137.26
_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  0.19  0.19  1.0
  Ba  Ba1  1  0.0  0.37  0.57  1.0
  Mg  Mg2  1  0.0  0.77  0.77  1.0
  Ta  Ta3  1  0.97  0.73  0.73  1.0

Ba Ba Mg Ta