data_ZrMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   144.82
_cell_angle_beta   123.12
_cell_angle_gamma   68.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnSi2
_chemical_formula_sum   'Zr1 Mn1 Si2'
_cell_volume   61.89
_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
  Zr  Zr3  1  0.0  0.0  0.19  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.41  0.32  1.0
  Si  Si2  1  0.53  0.0  0.87  1.0

data_ZrMnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.83
_cell_length_c   5.07
_cell_angle_alpha   118.44
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnSi2
_chemical_formula_sum   'Zr1 Mn1 Si2'
_cell_volume   61.89
_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
  Zr  Zr0  1  0.0  0.19  0.19  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.87  0.33  1.0
  Si  Si3  1  0.59  0.91  0.91  1.0

Zr Mn Si Si