data_LaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2
_chemical_formula_sum   'La4 Cr8'
_cell_volume   240.48
_cell_formula_units_Z   4
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  La8  1  0.0  0.41  0.39  1.0
  La  La9  1  0.0  0.41  0.58  1.0
  La  La10  1  0.96  0.71  0.37  1.0
  La  La11  1  0.96  0.71  0.55  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.97  1.0
  Cr  Cr2  1  0.0  0.59  0.96  1.0
  Cr  Cr3  1  0.42  0.33  0.96  1.0
  Cr  Cr4  1  0.38  0.8  0.99  1.0
  Cr  Cr5  1  0.58  0.33  0.96  1.0
  Cr  Cr6  1  0.54  0.8  0.99  1.0
  Cr  Cr7  1  0.96  0.53  0.99  1.0

data_LaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2
_chemical_formula_sum   'La4 Cr8'
_cell_volume   240.48
_cell_formula_units_Z   4
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  La0  1  0.0  0.41  0.39  1.0
  La  La1  1  0.0  0.41  0.58  1.0
  La  La2  1  0.96  0.71  0.37  1.0
  La  La3  1  0.96  0.71  0.55  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.0  0.0  0.97  1.0
  Cr  Cr6  1  0.0  0.59  0.96  1.0
  Cr  Cr7  1  0.38  0.8  0.99  1.0
  Cr  Cr8  1  0.42  0.33  0.96  1.0
  Cr  Cr9  1  0.54  0.8  0.99  1.0
  Cr  Cr10  1  0.58  0.33  0.96  1.0
  Cr  Cr11  1  0.96  0.53  0.99  1.0

La La La La Cr Cr Cr Cr Cr Cr Cr Cr