data_MgZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.4
_cell_angle_alpha   93.7
_cell_angle_beta   93.7
_cell_angle_gamma   36.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2As
_chemical_formula_sum   'Mg1 Zn2 As1'
_cell_volume   72.85
_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  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.47  0.0  0.08  1.0
  Zn  Zn3  1  0.33  0.0  0.31  1.0
  As  As0  1  0.9  0.0  0.2  1.0

data_MgZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.4
_cell_length_c   5.31
_cell_angle_alpha   93.7
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2As
_chemical_formula_sum   'Mg1 Zn2 As1'
_cell_volume   72.85
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.08  0.47  1.0
  Zn  Zn2  1  0.0  0.31  0.33  1.0
  As  As3  1  0.0  0.2  0.9  1.0

Mg Zn Zn As