data_BaZrTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   153.24
_cell_angle_beta   143.8
_cell_angle_gamma   45.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrTa2
_chemical_formula_sum   'Ba1 Zr1 Ta2'
_cell_volume   118.25
_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  0.37  0.11  1.0
  Zr  Zr3  1  0.0  0.0  0.49  1.0
  Ta  Ta1  1  0.0  0.0  0.28  1.0
  Ta  Ta2  1  0.77  0.0  0.2  1.0

data_BaZrTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.75
_cell_length_c   7.64
_cell_angle_alpha   108.1
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrTa2
_chemical_formula_sum   'Ba1 Zr1 Ta2'
_cell_volume   118.25
_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  0.63  0.74  0.74  1.0
  Zr  Zr1  1  0.0  0.49  0.49  1.0
  Ta  Ta2  1  0.0  0.2  0.43  1.0
  Ta  Ta3  1  0.0  0.28  0.28  1.0

Ba Zr Ta Ta