data_ZrCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.07
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   103.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Si
_chemical_formula_sum   'Zr1 Cr2 Si1'
_cell_volume   59.43
_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  0.92  0.04  0.32  1.0
  Cr  Cr0  1  0.91  0.0  0.4  1.0
  Cr  Cr1  1  0.83  0.04  0.98  1.0
  Si  Si2  1  0.45  0.0  0.34  1.0

data_ZrCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.07
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   103.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Si
_chemical_formula_sum   'Zr1 Cr2 Si1'
_cell_volume   59.43
_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  0.92  0.04  0.32  1.0
  Cr  Cr1  1  0.83  0.04  0.98  1.0
  Cr  Cr2  1  0.91  0.0  0.4  1.0
  Si  Si3  1  0.45  0.0  0.34  1.0

Zr Cr Cr Si