data_NaTa2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.12
_cell_angle_alpha   113.41
_cell_angle_beta   113.41
_cell_angle_gamma   24.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Be
_chemical_formula_sum   'Na1 Ta2 Be1'
_cell_volume   72.09
_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
  Na  Na1  1  0.9  0.0  0.34  1.0
  Ta  Ta2  1  1.0  0.0  0.99  1.0
  Ta  Ta3  1  0.81  0.0  0.69  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_NaTa2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   5.12
_cell_length_c   6.08
_cell_angle_alpha   113.41
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Be
_chemical_formula_sum   'Na1 Ta2 Be1'
_cell_volume   72.09
_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
  Na  Na0  1  0.0  0.34  0.9  1.0
  Ta  Ta1  1  0.0  0.69  0.81  1.0
  Ta  Ta2  1  0.0  0.99  1.0  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Na Ta Ta Be
Na Ta Ta Be 0 2 o o o 0 3 + o o 0 1 o o - 1 3 + o + 1 2 o o o 2 3 + o + 