data_TaBePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   139.35
_cell_angle_beta   128.6
_cell_angle_gamma   67.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBePt2
_chemical_formula_sum   'Ta1 Be1 Pt2'
_cell_volume   58.76
_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
  Ta  Ta3  1  0.0  0.12  0.13  1.0
  Be  Be0  1  0.0  0.0  0.29  1.0
  Pt  Pt1  1  0.0  0.12  0.79  1.0
  Pt  Pt2  1  0.0  0.0  1.0  1.0

data_TaBePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.25
_cell_length_c   4.89
_cell_angle_alpha   115.7
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBePt2
_chemical_formula_sum   'Ta1 Be1 Pt2'
_cell_volume   58.76
_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
  Ta  Ta0  1  0.87  0.99  0.99  1.0
  Be  Be1  1  0.71  0.71  0.71  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.21  0.34  0.34  1.0

Ta Be Pt Pt