data_SrZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.39
_cell_angle_alpha   109.03
_cell_angle_beta   109.03
_cell_angle_gamma   58.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2As
_chemical_formula_sum   'Sr1 Zn2 As1'
_cell_volume   93.24
_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
  Sr  Sr1  1  0.99  0.0  0.45  1.0
  Zn  Zn2  1  0.08  0.0  0.38  1.0
  Zn  Zn3  1  0.07  0.0  0.5  1.0
  As  As0  1  0.53  0.0  0.49  1.0

data_SrZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.29
_cell_length_c   6.39
_cell_angle_alpha   109.03
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2As
_chemical_formula_sum   'Sr1 Zn2 As1'
_cell_volume   93.24
_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
  Sr  Sr0  1  0.0  0.01  0.55  1.0
  Zn  Zn1  1  0.0  0.92  0.62  1.0
  Zn  Zn2  1  0.0  0.93  0.5  1.0
  As  As3  1  0.0  0.47  0.51  1.0

Sr Zn Zn As