data_YHf2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   135.11
_cell_angle_beta   135.11
_cell_angle_gamma   65.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2As
_chemical_formula_sum   'Y1 Hf2 As1'
_cell_volume   88.01
_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  0.15  0.37  1.0
  Hf  Hf1  1  0.15  0.0  0.37  1.0
  Hf  Hf2  1  0.0  0.0  0.75  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YHf2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.64
_cell_angle_alpha   112.45
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2As
_chemical_formula_sum   'Y1 Hf2 As1'
_cell_volume   88.01
_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  0.78  0.15  0.78  1.0
  Hf  Hf1  1  0.25  0.0  0.25  1.0
  Hf  Hf2  1  0.63  0.0  0.78  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Y Hf Hf As