data_YIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   133.6
_cell_angle_beta   133.6
_cell_angle_gamma   67.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2As
_chemical_formula_sum   'Y1 In2 As1'
_cell_volume   95.26
_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  0.24  0.36  1.0
  In  In1  1  0.24  0.0  0.36  1.0
  In  In2  1  0.0  0.0  0.73  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YIn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.7
_cell_angle_alpha   113.2
_cell_angle_beta   113.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2As
_chemical_formula_sum   'Y1 In2 As1'
_cell_volume   95.26
_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  0.12  0.36  0.12  1.0
  In  In1  1  0.36  0.12  0.12  1.0
  In  In2  1  0.73  0.73  0.73  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Y In In As
Y In In As 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o + 