data_Zr2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrSi
_chemical_formula_sum   'Zr2 Cr1 Si1'
_cell_volume   69.63
_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  Zr2  1  0.22  0.0  0.26  1.0
  Zr  Zr3  1  0.0  0.0  0.77  1.0
  Cr  Cr0  1  0.22  0.0  0.99  1.0
  Si  Si1  1  0.0  0.0  0.99  1.0

data_Zr2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrSi
_chemical_formula_sum   'Zr2 Cr1 Si1'
_cell_volume   69.63
_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  0.0  0.77  1.0
  Zr  Zr1  1  0.22  0.0  0.26  1.0
  Cr  Cr2  1  0.22  0.0  0.99  1.0
  Si  Si3  1  0.0  0.0  0.99  1.0

Zr Zr Cr Si
Zr Zr Cr Si 0 3 o o - 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 