data_BaTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.49
_cell_angle_alpha   105.54
_cell_angle_beta   105.54
_cell_angle_gamma   37.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2Pd
_chemical_formula_sum   'Ba1 Te2 Pd1'
_cell_volume   139.65
_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  0.37  0.0  0.64  1.0
  Te  Te2  1  0.46  0.0  0.23  1.0
  Te  Te3  1  0.13  0.0  0.84  1.0
  Pd  Pd1  1  0.36  0.0  0.19  1.0

data_BaTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.49
_cell_length_c   6.57
_cell_angle_alpha   105.54
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2Pd
_chemical_formula_sum   'Ba1 Te2 Pd1'
_cell_volume   139.65
_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  0.64  0.37  1.0
  Te  Te1  1  0.0  0.23  0.46  1.0
  Te  Te2  1  0.0  0.84  0.13  1.0
  Pd  Pd3  1  0.0  0.19  0.36  1.0

Ba Te Te Pd
Ba Te Te Pd 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o + 