data_SrCa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   147.35
_cell_angle_beta   129.88
_cell_angle_gamma   61.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Zn
_chemical_formula_sum   'Sr1 Ca2 Zn1'
_cell_volume   146.77
_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  Sr2  1  0.0  0.01  0.58  1.0
  Ca  Ca0  1  0.0  0.01  0.48  1.0
  Ca  Ca1  1  0.0  0.0  0.03  1.0
  Zn  Zn3  1  0.0  0.0  0.25  1.0

data_SrCa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   6.01
_cell_length_c   7.1
_cell_angle_alpha   115.06
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Zn
_chemical_formula_sum   'Sr1 Ca2 Zn1'
_cell_volume   146.77
_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  0.99  0.57  0.57  1.0
  Ca  Ca1  1  0.0  0.03  0.03  1.0
  Ca  Ca2  1  0.99  0.47  0.47  1.0
  Zn  Zn3  1  0.0  0.25  0.25  1.0

Sr Ca Ca Zn
Sr Ca Ca Zn 0 1 o o o 1 3 o o o 2 3 o o o 