data_NaMgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.24
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgAs2
_chemical_formula_sum   'Na1 Mg1 As2'
_cell_volume   81.11
_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
  Na  Na3  1  0.0  0.0  0.77  1.0
  Mg  Mg2  1  0.0  0.62  0.16  1.0
  As  As0  1  0.47  0.62  0.54  1.0
  As  As1  1  0.47  0.0  0.4  1.0

data_NaMgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.24
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgAs2
_chemical_formula_sum   'Na1 Mg1 As2'
_cell_volume   81.11
_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
  Na  Na0  1  0.0  0.0  0.77  1.0
  Mg  Mg1  1  0.0  0.62  0.16  1.0
  As  As2  1  0.47  0.0  0.4  1.0
  As  As3  1  0.47  0.62  0.54  1.0

Na Mg As As
Na Mg As As 0 2 - - o 0 2 o - o 0 3 - o o 0 3 o o o 0 0 + o o 0 1 o - + 1 3 - + o 1 3 o + o 1 2 - o o 1 2 o o o 1 1 + o o 2 3 o + o 