data_AlCo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   3.95
_cell_angle_alpha   104.08
_cell_angle_beta   104.08
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2P
_chemical_formula_sum   'Al1 Co2 P1'
_cell_volume   45.22
_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  0.01  0.0  0.74  1.0
  Co  Co1  1  1.0  0.0  0.24  1.0
  Co  Co2  1  0.24  0.0  0.58  1.0
  P  P3  1  0.64  0.0  0.17  1.0

data_AlCo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.95
_cell_length_c   4.38
_cell_angle_alpha   104.08
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2P
_chemical_formula_sum   'Al1 Co2 P1'
_cell_volume   45.22
_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  0.74  0.01  1.0
  Co  Co1  1  0.0  0.24  1.0  1.0
  Co  Co2  1  0.0  0.58  0.24  1.0
  P  P3  1  0.0  0.17  0.64  1.0

Al Co Co P
Al Co Co P 0 2 o o o 1 3 o o o 1 2 + o o 