# generated using pymatgen
data_YAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11951640
_cell_length_b   4.11951619
_cell_length_c   4.11951674
_cell_angle_alpha   59.99999559
_cell_angle_beta   59.99999723
_cell_angle_gamma   60.00000619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs
_chemical_formula_sum   'Y1 As1'
_cell_volume   49.43376863
_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  -0.00000000  -0.00000000  0.00000000  1.0
  As  As1  1  0.50000000  0.50000000  0.50000000  1.0