data_MgTaBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   34.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaBe2
_chemical_formula_sum   'Mg1 Ta1 Be2'
_cell_volume   54.75
_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
  Mg  Mg2  1  0.0  0.0  0.12  1.0
  Ta  Ta3  1  0.9  0.0  0.12  1.0
  Be  Be0  1  0.0  0.0  0.79  1.0
  Be  Be1  1  0.9  0.0  0.07  1.0

data_MgTaBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.8
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaBe2
_chemical_formula_sum   'Mg1 Ta1 Be2'
_cell_volume   54.75
_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
  Mg  Mg0  1  0.88  0.0  0.88  1.0
  Ta  Ta1  1  0.88  0.9  0.88  1.0
  Be  Be2  1  0.21  0.0  0.21  1.0
  Be  Be3  1  0.93  0.9  0.93  1.0

Mg Ta Be Be