data_AlCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   151.85
_cell_angle_beta   138.71
_cell_angle_gamma   50.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoP2
_chemical_formula_sum   'Al1 Co1 P2'
_cell_volume   57.35
_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  0.0  1.0
  Co  Co1  1  0.0  0.0  0.15  1.0
  P  P2  1  0.39  0.0  0.34  1.0
  P  P3  1  0.0  0.01  0.81  1.0

data_AlCoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.02
_cell_length_c   5.7
_cell_angle_alpha   110.65
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoP2
_chemical_formula_sum   'Al1 Co1 P2'
_cell_volume   57.35
_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  0.0  1.0
  Co  Co1  1  0.85  0.85  0.85  1.0
  P  P2  1  0.05  0.66  0.05  1.0
  P  P3  1  0.19  0.2  0.2  1.0

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