data_[Ac4Er4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6533]
_cell_length_b [4.2067]
_cell_length_c [14.3740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcErRe]
_chemical_formula_sum '[Ac4 Er4 Re4]'
_cell_volume [398.7823]
_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
[
  Ac  Ac0  4  0.2303  0.5000  0.2002  1
  Er  Er1  4  0.1505  0.0000  0.4117  1
  Re  Re2  4  0.1660  0.5000  0.9784  1
]