data_YMgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.33
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAs2
_chemical_formula_sum   'Y1 Mg1 As2'
_cell_volume   91.68
_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  0.07  0.0  0.62  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.94  0.66  0.36  1.0
  As  As1  1  0.99  0.66  0.89  1.0

data_YMgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.8
_cell_length_c   7.48
_cell_angle_alpha   104.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAs2
_chemical_formula_sum   'Y1 Mg1 As2'
_cell_volume   91.68
_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  0.93  0.38  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.34  0.01  0.11  1.0
  As  As3  1  0.34  0.06  0.64  1.0

Y Mg As As
Y Mg As As 0 2 - - o 0 3 - - o 1 3 - - - 