data_YCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.85
_cell_angle_beta   125.31
_cell_angle_gamma   67.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoRe2
_chemical_formula_sum   'Y1 Co1 Re2'
_cell_volume   67.61
_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  0.4  0.05  1.0
  Co  Co0  1  0.0  0.0  0.77  1.0
  Re  Re1  1  0.0  0.4  0.31  1.0
  Re  Re2  1  0.0  0.0  0.91  1.0

data_YCoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.8
_cell_length_c   5.22
_cell_angle_alpha   117.34
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoRe2
_chemical_formula_sum   'Y1 Co1 Re2'
_cell_volume   67.61
_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  0.6  0.65  0.65  1.0
  Co  Co1  1  0.0  0.77  0.77  1.0
  Re  Re2  1  0.0  0.91  0.91  1.0
  Re  Re3  1  0.6  0.91  0.91  1.0

Y Co Re Re
Y Co Re Re 0 1 o o - 0 2 o o o 1 3 o o o 2 3 o o - 