data_[Mg1Co2Re1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.6224]
_cell_length_b [3.8853]
_cell_length_c [5.2413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MgCo2Re]
_chemical_formula_sum '[Mg1 Co2 Re1]'
_cell_volume [53.4031]
_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  0.0000  0.0000  0.4746  1
  Co  Co1  1  0.0000  0.0000  0.9797  1
  Co  Co2  1  0.5000  0.5000  0.2569  1
  Re  Re3  1  0.5000  0.5000  0.7888  1
]