data_Sr2CaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   31.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaZn
_chemical_formula_sum   'Sr2 Ca1 Zn1'
_cell_volume   164.73
_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  0.18  0.0  0.86  1.0
  Sr  Sr2  1  0.0  0.0  0.48  1.0
  Ca  Ca0  1  0.0  0.0  0.58  1.0
  Zn  Zn3  1  0.18  0.0  0.88  1.0

data_Sr2CaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.6
_cell_length_c   8.54
_cell_angle_alpha   105.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaZn
_chemical_formula_sum   'Sr2 Ca1 Zn1'
_cell_volume   164.73
_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  0.48  0.48  1.0
  Sr  Sr1  1  0.82  0.86  0.86  1.0
  Ca  Ca2  1  0.0  0.58  0.58  1.0
  Zn  Zn3  1  0.82  0.88  0.88  1.0

Sr Sr Ca Zn