data_MgTaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   150.28
_cell_angle_beta   131.06
_cell_angle_gamma   58.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaPd2
_chemical_formula_sum   'Mg1 Ta1 Pd2'
_cell_volume   67.35
_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
  Mg  Mg0  1  0.0  0.0  0.53  1.0
  Ta  Ta3  1  0.45  0.0  0.78  1.0
  Pd  Pd1  1  0.45  0.0  0.05  1.0
  Pd  Pd2  1  0.0  0.0  0.47  1.0

data_MgTaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.69
_cell_length_c   5.66
_cell_angle_alpha   114.47
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaPd2
_chemical_formula_sum   'Mg1 Ta1 Pd2'
_cell_volume   67.35
_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
  Mg  Mg0  1  0.0  0.53  0.53  1.0
  Ta  Ta1  1  0.0  0.78  0.33  1.0
  Pd  Pd2  1  0.0  0.05  0.6  1.0
  Pd  Pd3  1  0.0  0.47  0.47  1.0

Mg Ta Pd Pd