data_Y2ZrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.27
_cell_angle_alpha   113.15
_cell_angle_beta   113.15
_cell_angle_gamma   34.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrAs
_chemical_formula_sum   'Y2 Zr1 As1'
_cell_volume   102.93
_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  Y1  1  0.43  0.0  0.27  1.0
  Y  Y2  1  0.3  0.0  0.53  1.0
  Zr  Zr3  1  0.3  0.0  0.2  1.0
  As  As0  1  0.46  0.0  0.19  1.0

data_Y2ZrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.27
_cell_length_c   6.19
_cell_angle_alpha   113.15
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrAs
_chemical_formula_sum   'Y2 Zr1 As1'
_cell_volume   102.93
_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  0.27  0.43  1.0
  Y  Y1  1  0.0  0.53  0.3  1.0
  Zr  Zr2  1  0.0  0.2  0.3  1.0
  As  As3  1  0.0  0.19  0.46  1.0

Y Y Zr As