data_[Mg3Re6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.4363]
_cell_length_b [10.4363]
_cell_length_c [5.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Mg(ReO4)2]
_chemical_formula_sum '[Mg3 Re6 O24]'
_cell_volume [483.6356]
_cell_formula_units_Z [3]
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  2  0.3333  0.6667  0.3617  1
  Mg  Mg1  1  0.0000  0.0000  0.8627  1
  Re  Re2  3  0.0000  0.3552  0.0064  1
  Re  Re3  3  0.0000  0.6827  0.4878  1
  O  O4  6  0.1591  0.5106  0.1320  1
  O  O5  6  0.1622  0.6802  0.5766  1
  O  O6  3  0.0000  0.1896  0.0771  1
  O  O7  3  0.0000  0.3699  0.6715  1
  O  O8  3  0.0000  0.6936  0.1522  1
  O  O9  3  0.0000  0.8370  0.6283  1
]