data_Zr2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   138.02
_cell_angle_beta   138.02
_cell_angle_gamma   60.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnAs
_chemical_formula_sum   'Zr2 Zn1 As1'
_cell_volume   76.22
_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
  Zr  Zr2  1  0.99  0.0  0.4  1.0
  Zr  Zr3  1  0.0  0.0  0.8  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.99  0.4  1.0

data_Zr2ZnAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   120.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2ZnAs
_chemical_formula_sum   'Zr4 Zn2 As2'
_cell_volume   152.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.1  0.5  0.59  1.0
  Zr  Zr1  2  0.2  0.0  0.2  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.1  0.5  0.59  1.0

Zr Zr Zn As