data_MgTaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   148.01
_cell_angle_beta   125.67
_cell_angle_gamma   64.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaRe
_chemical_formula_sum   'Mg1 Ta1 Re1'
_cell_volume   50.68
_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  0.01  1.0
  Ta  Ta2  1  0.0  0.0  0.78  1.0
  Re  Re1  1  0.0  0.0  0.53  1.0

data_MgTaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.49
_cell_length_c   4.92
_cell_angle_alpha   117.16
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaRe
_chemical_formula_sum   'Mg1 Ta1 Re1'
_cell_volume   50.68
_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  0.01  0.01  1.0
  Ta  Ta1  1  0.0  0.78  0.78  1.0
  Re  Re2  1  0.0  0.53  0.53  1.0

Mg Ta Re
Mg Ta Re 0 1 o o - 1 2 o o o 