data_MgScTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   146.29
_cell_angle_beta   133.01
_cell_angle_gamma   59.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScTa2
_chemical_formula_sum   'Mg1 Sc1 Ta2'
_cell_volume   78.99
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.06  1.0
  Ta  Ta2  1  0.0  0.32  0.61  1.0
  Ta  Ta3  1  0.69  0.0  0.44  1.0

data_MgScTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.63
_cell_length_c   5.81
_cell_angle_alpha   113.5
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScTa2
_chemical_formula_sum   'Mg1 Sc1 Ta2'
_cell_volume   78.99
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.94  0.94  0.94  1.0
  Ta  Ta2  1  0.24  0.56  0.24  1.0
  Ta  Ta3  1  0.39  0.71  0.71  1.0

Mg Sc Ta Ta