data_[La6Be3Re3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1146]
_cell_length_b [4.1146]
_cell_length_c [22.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2BeRe]
_chemical_formula_sum '[La6 Be3 Re3]'
_cell_volume [327.7798]
_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
[
  La  La0  3  0.0000  0.0000  0.7909  1
  La  La1  3  0.0000  0.0000  0.9591  1
  Be  Be2  3  0.0000  0.0000  0.2080  1
  Re  Re3  3  0.0000  0.0000  0.5420  1
]