data_Al2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   134.02
_cell_angle_beta   134.02
_cell_angle_gamma   67.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrP
_chemical_formula_sum   'Al2 Cr1 P1'
_cell_volume   57.46
_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  0.89  0.02  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.89  0.0  0.02  1.0
  P  P3  1  0.0  0.0  0.03  1.0

data_Al2CrP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   123.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CrP
_chemical_formula_sum   'Al4 Cr2 P2'
_cell_volume   114.93
_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  0.01  0.0  0.0  1.0
  Al  Al1  2  0.39  0.5  0.87  1.0
  Cr  Cr2  2  -0.0  0.0  0.87  1.0
  P  P3  2  0.49  0.5  0.97  1.0

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