data_TaBe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Ru
_chemical_formula_sum   'Ta1 Be2 Ru1'
_cell_volume   49.12
_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  0.6  0.0  0.0  1.0
  Be  Be0  1  0.3  0.43  0.5  1.0
  Be  Be1  1  0.3  0.57  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TaBe2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.08
_cell_length_b   3.01
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaBe2Ru
_chemical_formula_sum   'Ta1 Be2 Ru1'
_cell_volume   49.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.6  0.0  0.0  1.0
  Be  Be1  1  0.3  0.5  0.43  1.0
  Be  Be2  1  0.3  0.5  0.57  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Be Be Ru