data_Hf2MgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgAs
_chemical_formula_sum   'Hf2 Mg1 As1'
_cell_volume   84.49
_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
  Hf  Hf1  1  0.0  0.0  0.23  1.0
  Hf  Hf2  1  0.92  0.0  0.6  1.0
  Mg  Mg3  1  0.0  0.0  0.1  1.0
  As  As0  1  0.92  0.0  0.1  1.0

data_Hf2MgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgAs
_chemical_formula_sum   'Hf2 Mg1 As1'
_cell_volume   84.49
_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
  Hf  Hf0  1  0.0  0.0  0.23  1.0
  Hf  Hf1  1  0.92  0.0  0.6  1.0
  Mg  Mg2  1  0.0  0.0  0.1  1.0
  As  As3  1  0.92  0.0  0.1  1.0

Hf Hf Mg As