data_AlCr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   20.66
_cell_angle_beta   20.66
_cell_angle_gamma   20.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2P
_chemical_formula_sum   'Al1 Cr2 P1'
_cell_volume   52.21
_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
  Al  Al0  1  0.0  0.0  0.17  1.0
  Cr  Cr1  1  0.0  0.0  0.81  1.0
  Cr  Cr2  1  0.0  0.0  0.74  1.0
  P  P3  1  0.0  0.0  0.69  1.0

data_AlCr2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCr2P
_chemical_formula_sum   'Al2 Cr4 P2'
_cell_volume   104.41
_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
  Al  Al0  2  -0.0  0.0  0.83  1.0
  Cr  Cr1  2  -0.0  0.0  0.26  1.0
  Cr  Cr2  2  -0.0  0.0  0.19  1.0
  P  P3  2  -0.0  0.0  0.31  1.0

Al Cr Cr P
Al Cr Cr P 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o - 1 2 o o o 2 3 o o o 