data_MgTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   143.42
_cell_angle_beta   128.53
_cell_angle_gamma   64.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Re
_chemical_formula_sum   'Mg1 Ta2 Re1'
_cell_volume   70.47
_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
  Ta  Ta2  1  0.68  0.0  0.47  1.0
  Ta  Ta3  1  0.0  0.32  0.05  1.0
  Re  Re1  1  0.0  0.0  0.52  1.0

data_MgTa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.65
_cell_length_c   5.35
_cell_angle_alpha   115.73
_cell_angle_beta   108.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Re
_chemical_formula_sum   'Mg1 Ta2 Re1'
_cell_volume   70.47
_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
  Ta  Ta1  1  0.0  0.47  0.79  1.0
  Ta  Ta2  1  0.68  0.73  0.73  1.0
  Re  Re3  1  0.0  0.52  0.52  1.0

Mg Ta Ta Re