data_CrGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.07
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   98.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Si
_chemical_formula_sum   'Cr1 Ga2 Si1'
_cell_volume   58.19
_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
  Cr  Cr0  1  0.62  0.04  0.69  1.0
  Ga  Ga1  1  0.98  0.0  0.91  1.0
  Ga  Ga2  1  0.37  0.04  0.29  1.0
  Si  Si3  1  0.92  0.0  0.56  1.0

data_CrGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.07
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   98.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Si
_chemical_formula_sum   'Cr1 Ga2 Si1'
_cell_volume   58.19
_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
  Cr  Cr0  1  0.62  0.04  0.69  1.0
  Ga  Ga1  1  0.37  0.04  0.29  1.0
  Ga  Ga2  1  0.98  0.0  0.91  1.0
  Si  Si3  1  0.92  0.0  0.56  1.0

Cr Ga Ga Si
Cr Ga Ga Si 0 3 o o o 0 1 o o o 0 2 o o o 1 2 + o + 2 3 - o o 2 3 o o o 