data_YBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   144.28
_cell_angle_beta   125.25
_cell_angle_gamma   67.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Re
_chemical_formula_sum   'Y1 Be2 Re1'
_cell_volume   60.25
_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  Y3  1  0.0  0.0  0.32  1.0
  Be  Be0  1  0.55  0.0  0.36  1.0
  Be  Be1  1  0.0  0.0  0.03  1.0
  Re  Re2  1  0.55  0.0  0.89  1.0

data_YBe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.64
_cell_length_c   5.04
_cell_angle_alpha   117.37
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Re
_chemical_formula_sum   'Y1 Be2 Re1'
_cell_volume   60.25
_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  0.0  0.32  0.32  1.0
  Be  Be1  1  0.0  0.03  0.03  1.0
  Be  Be2  1  0.0  0.36  0.81  1.0
  Re  Re3  1  0.0  0.89  0.35  1.0

Y Be Be Re
Y Be Be Re 0 2 o o o 0 1 o o o 0 1 - o o 0 3 - o - 1 2 o o o 1 2 + o + 1 3 o o - 1 3 o o o 2 3 - o - 