data_Zn2CrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   150.4
_cell_angle_beta   150.4
_cell_angle_gamma   42.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrSn2
_chemical_formula_sum   'Zn2 Cr1 Sn2'
_cell_volume   104.27
_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  0.93  0.51  1.0
  Zn  Zn4  1  0.93  0.0  0.51  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.49  1.0
  Sn  Sn2  1  0.0  0.0  0.57  1.0

data_Zn2CrSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CrSn2
_chemical_formula_sum   'Zn4 Cr2 Sn4'
_cell_volume   208.53
_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  4  0.46  0.46  0.41  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.43  1.0
  Sn  Sn3  2  0.0  0.0  0.51  1.0

Zn Zn Cr Sn Sn
Zn Zn Cr Sn Sn 0 4 o + o 0 2 o o o 0 2 o + + 0 3 o + o 1 4 + o o 1 2 + o + 1 2 o o o 1 3 + o o 2 2 + o + 2 2 o + + 2 4 o o - 2 3 o o - 2 3 o o o 3 4 o o o 