data_[Sr4Y2Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3369]
_cell_length_b [11.0719]
_cell_length_c [3.2702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2YRe]
_chemical_formula_sum '[Sr4 Y2 Re2]'
_cell_volume [226.1403]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.2500  0.2500  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  Re  Re2  2  0.0000  0.5000  0.5000  1
]