data_YTlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   129.23
_cell_angle_beta   129.23
_cell_angle_gamma   74.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlAs2
_chemical_formula_sum   'Y1 Tl1 As2'
_cell_volume   93.15
_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  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.31  1.0
  As  As0  1  0.32  0.0  0.16  1.0
  As  As1  1  0.0  0.32  0.16  1.0

data_YTlAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   127.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTlAs2
_chemical_formula_sum   'Y2 Tl2 As4'
_cell_volume   186.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.19  0.5  0.69  1.0
  As  As2  4  0.01  0.16  0.17  1.0

Y Tl As As
Y Tl As As 0 3 o o o 0 2 o o o 0 1 o o o 