data_ZnMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   17.21
_cell_angle_beta   17.21
_cell_angle_gamma   17.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMoAs2
_chemical_formula_sum   'Zn1 Mo1 As2'
_cell_volume   75.7
_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
  Zn  Zn3  1  0.0  0.0  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.63  1.0
  As  As0  1  0.0  0.0  0.55  1.0
  As  As1  1  0.0  0.0  0.74  1.0

data_ZnMoAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.98
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnMoAs2
_chemical_formula_sum   'Zn2 Mo2 As4'
_cell_volume   151.4
_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
  Zn  Zn0  2  0.0  0.0  0.73  1.0
  Mo  Mo1  2  0.0  0.0  0.37  1.0
  As  As2  2  0.0  0.0  0.26  1.0
  As  As3  2  0.0  0.0  0.45  1.0

Zn Mo As As