data_LaCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   143.61
_cell_angle_beta   143.61
_cell_angle_gamma   52.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr4
_chemical_formula_sum   'La1 Cr4'
_cell_volume   82.92
_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  La4  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.93  0.0  0.78  1.0
  Cr  Cr1  1  0.0  0.0  0.09  1.0
  Cr  Cr2  1  0.0  0.0  0.02  1.0
  Cr  Cr3  1  0.0  0.93  0.78  1.0

data_LaCr4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   116.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCr4
_chemical_formula_sum   'La2 Cr8'
_cell_volume   165.83
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.47  0.47  0.16  1.0
  Cr  Cr2  2  0.0  0.0  0.91  1.0
  Cr  Cr3  2  0.0  0.0  0.98  1.0

La Cr Cr Cr Cr
La Cr Cr Cr Cr 0 3 o o o 1 4 + - o 2 3 o o o 