data_YFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   132.9
_cell_angle_beta   108.57
_cell_angle_gamma   90.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeAs2
_chemical_formula_sum   'Y1 Fe1 As2'
_cell_volume   76.1
_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  0.44  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.95  0.0  0.35  1.0
  As  As1  1  0.0  0.84  0.1  1.0

data_YFeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   71.43
_cell_angle_beta   66.45
_cell_angle_gamma   66.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeAs2
_chemical_formula_sum   'Y1 Fe1 As2'
_cell_volume   76.1
_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  0.44  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.05  0.35  1.0
  As  As3  1  0.84  0.0  0.25  1.0

Y Fe As As