data_TaBe2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2In
_chemical_formula_sum   'Ta1 Be2 In1'
_cell_volume   58.91
_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  0.0  0.29  1.0
  Be  Be0  1  0.99  0.0  0.87  1.0
  Be  Be1  1  0.99  0.0  0.7  1.0
  In  In2  1  0.0  0.0  0.0  1.0

data_TaBe2In
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   4.51
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   TaBe2In
_chemical_formula_sum   'Ta2 Be4 In2'
_cell_volume   117.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.71  1.0
  Be  Be1  2  0.0  0.0  0.13  1.0
  Be  Be2  2  0.0  0.0  0.3  1.0
  In  In3  2  0.0  0.0  0.0  1.0

Ta Be Be In