data_CaAgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   132.78
_cell_angle_beta   132.78
_cell_angle_gamma   69.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgP
_chemical_formula_sum   'Ca1 Ag1 P1'
_cell_volume   65.49
_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
  Ca  Ca1  1  0.0  0.0  0.72  1.0
  Ag  Ag0  1  0.0  0.0  0.13  1.0
  P  P2  1  0.0  0.0  0.58  1.0

data_CaAgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   124.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaAgP
_chemical_formula_sum   'Ca2 Ag2 P2'
_cell_volume   130.97
_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
  Ca  Ca0  2  0.28  0.0  0.28  1.0
  Ag  Ag1  2  0.37  0.5  0.87  1.0
  P  P2  2  0.42  0.0  0.42  1.0

Ca Ag P