data_Sr2ZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.35
_cell_angle_alpha   99.27
_cell_angle_beta   99.27
_cell_angle_gamma   34.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnMo
_chemical_formula_sum   'Sr2 Zn1 Mo1'
_cell_volume   107.75
_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  0.84  0.0  0.67  1.0
  Sr  Sr2  1  0.63  0.0  0.59  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.74  0.0  0.13  1.0

data_Sr2ZnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.52
_cell_length_c   6.35
_cell_angle_alpha   99.27
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnMo
_chemical_formula_sum   'Sr2 Zn1 Mo1'
_cell_volume   107.75
_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  0.16  0.33  1.0
  Sr  Sr1  1  0.0  0.37  0.41  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.26  0.87  1.0

Sr Sr Zn Mo