data_TaMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   144.05
_cell_angle_beta   129.81
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Be
_chemical_formula_sum   'Ta1 Mn2 Be1'
_cell_volume   48.84
_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  0.48  0.0  0.02  1.0
  Mn  Mn1  1  0.48  0.0  0.04  1.0
  Mn  Mn2  1  0.0  0.0  0.93  1.0
  Be  Be0  1  0.0  0.0  0.24  1.0

data_TaMn2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.06
_cell_length_c   4.79
_cell_angle_alpha   115.1
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Be
_chemical_formula_sum   'Ta1 Mn2 Be1'
_cell_volume   48.84
_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  0.0  0.02  0.54  1.0
  Mn  Mn1  1  0.0  0.04  0.56  1.0
  Mn  Mn2  1  0.0  0.93  0.93  1.0
  Be  Be3  1  0.0  0.24  0.24  1.0

Ta Mn Mn Be
Ta Mn Mn Be 0 1 o o o 2 3 o o + 