data_LaAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   43.12
_cell_angle_beta   43.12
_cell_angle_gamma   43.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgP2
_chemical_formula_sum   'La1 Ag1 P2'
_cell_volume   85.97
_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  La1  1  0.0  0.0  0.98  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.23  1.0
  P  P3  1  0.0  0.0  0.74  1.0

data_LaAgP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.48
_cell_length_b   4.32
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   115.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAgP2
_chemical_formula_sum   'La2 Ag2 P4'
_cell_volume   171.94
_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  0.98  1.0
  Ag  Ag1  2  -0.0  0.0  0.0  1.0
  P  P2  2  -0.0  0.0  0.23  1.0
  P  P3  2  0.0  0.0  0.74  1.0

La Ag P P
La Ag P P 0 1 o o + 0 2 o o + 0 3 o o o 1 2 o o o 1 3 o o - 