data_MnZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnSi2
_chemical_formula_sum   'Mn1 Zn1 Si2'
_cell_volume   53.92
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.65  0.0  0.0  1.0
  Si  Si1  1  0.33  0.88  0.35  1.0
  Si  Si2  1  0.33  0.12  0.35  1.0

data_MnZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   109.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnSi2
_chemical_formula_sum   'Mn1 Zn1 Si2'
_cell_volume   53.92
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.65  0.0  1.0
  Si  Si2  1  0.35  0.33  0.12  1.0
  Si  Si3  1  0.35  0.33  0.88  1.0

Mn Zn Si Si