data_YMgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   139.26
_cell_angle_beta   139.26
_cell_angle_gamma   58.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgSb2
_chemical_formula_sum   'Y1 Mg1 Sb2'
_cell_volume   102.56
_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  0.17  0.72  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.17  0.0  0.72  1.0
  Sb  Sb2  1  0.0  0.0  0.43  1.0

data_YMgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.24
_cell_angle_alpha   110.37
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgSb2
_chemical_formula_sum   'Y1 Mg1 Sb2'
_cell_volume   102.56
_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  0.54  0.72  0.54  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.43  0.43  0.43  1.0
  Sb  Sb3  1  0.72  0.54  0.54  1.0

Y Mg Sb Sb