data_[Mg2Zn1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1869]
_cell_length_b [4.1869]
_cell_length_c [6.7737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Mg2ZnAs2]
_chemical_formula_sum '[Mg2 Zn1 As2]'
_cell_volume [102.8357]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.6314  1.0
  Mg  Mg1  1  0.3333  0.6667  0.9953  1.0
  Zn  Zn2  1  0.6667  0.3333  0.3678  1.0
  As  As3  1  0.0000  0.0000  0.2351  1.0
  As  As4  1  0.6667  0.3333  0.7704  1.0
]