data_LaCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.94
_cell_length_c   3.23
_cell_angle_alpha   74.6
_cell_angle_beta   73.93
_cell_angle_gamma   31.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrSi
_chemical_formula_sum   'La1 Cr1 Si1'
_cell_volume   57.12
_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
  La  La1  1  0.25  0.31  0.7  1.0
  Cr  Cr0  1  0.25  0.31  0.5  1.0
  Si  Si2  1  0.25  0.31  0.79  1.0

data_LaCrSi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.23
_cell_length_b   10.98
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LaCrSi
_chemical_formula_sum   'La2 Cr2 Si2'
_cell_volume   114.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  La  La0  2  0.0  0.5  0.0  1.0
  Cr  Cr1  2  0.0  0.5  0.81  1.0
  Si  Si2  2  0.0  0.5  0.09  1.0

La Cr Si