data_[Mg2Ta1Re1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8091]
_cell_length_b [4.4660]
_cell_length_c [5.7562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2TaRe]
_chemical_formula_sum '[Mg2 Ta1 Re1]'
_cell_volume [70.9262]
_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  0.7367  0.5000  0.2562  1
  Mg  Mg1  1  0.9874  0.0000  0.0028  1
  Ta  Ta2  1  0.2892  0.5000  0.7253  1
  Re  Re3  1  0.4866  0.0000  0.5156  1
]