data_Y2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.26
_cell_angle_alpha   104.75
_cell_angle_beta   104.75
_cell_angle_gamma   58.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeAs
_chemical_formula_sum   'Y2 Fe1 As1'
_cell_volume   92.69
_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  Y2  1  0.65  0.0  0.73  1.0
  Y  Y3  1  0.14  0.0  0.21  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.39  0.0  0.47  1.0

data_Y2FeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.96
_cell_length_c   7.26
_cell_angle_alpha   104.75
_cell_angle_beta   90.0
_cell_angle_gamma   119.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeAs
_chemical_formula_sum   'Y2 Fe1 As1'
_cell_volume   92.69
_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  0.35  0.27  1.0
  Y  Y1  1  0.0  0.86  0.79  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.61  0.53  1.0

Y Y Fe As