data_[Y2Cr1Re1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1946]
_cell_length_b [3.9256]
_cell_length_c [7.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y2CrRe]
_chemical_formula_sum '[Y2 Cr1 Re1]'
_cell_volume [90.2353]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.5877  0.5000  0.3174  1
  Y  Y1  1  0.9248  0.0000  0.9338  1
  Cr  Cr2  1  0.0886  0.0000  0.5586  1
  Re  Re3  1  0.3988  0.5000  0.6901  1
]