data_YBiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiAs2
_chemical_formula_sum   'Y1 Bi1 As2'
_cell_volume   100.18
_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  0.98  1.0
  Bi  Bi2  1  0.79  0.0  0.51  1.0
  As  As0  1  0.79  0.0  0.69  1.0
  As  As1  1  0.0  0.0  0.97  1.0

data_YBiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiAs2
_chemical_formula_sum   'Y1 Bi1 As2'
_cell_volume   100.18
_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  0.98  1.0
  Bi  Bi1  1  0.79  0.0  0.51  1.0
  As  As2  1  0.0  0.0  0.97  1.0
  As  As3  1  0.79  0.0  0.69  1.0

Y Bi As As
Y Bi As As 0 3 o o o 1 2 o o o 