data_[Rb4Mg4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5026]
_cell_length_b [4.3312]
_cell_length_c [12.8939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbMgRe]
_chemical_formula_sum '[Rb4 Mg4 Re4]'
_cell_volume [418.9661]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.1590  0.0000  0.1711  1
  Mg  Mg1  4  0.0007  0.5000  0.3869  1
  Re  Re2  4  0.1696  0.0000  0.5131  1
]