data_YRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.19
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2As
_chemical_formula_sum   'Y1 Re2 As1'
_cell_volume   74.15
_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  0.87  1.0
  Re  Re1  1  0.54  0.1  0.18  1.0
  Re  Re2  1  0.54  0.1  0.55  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.19
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRe2As
_chemical_formula_sum   'Y1 Re2 As1'
_cell_volume   74.15
_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  0.0  0.87  1.0
  Re  Re1  1  0.54  0.1  0.18  1.0
  Re  Re2  1  0.54  0.1  0.55  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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