data_Ca2LaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaP
_chemical_formula_sum   'Ca2 La1 P1'
_cell_volume   124.54
_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  Ca0  1  0.51  0.0  0.54  1.0
  Ca  Ca1  1  0.51  0.0  0.92  1.0
  La  La2  1  0.0  0.0  0.73  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Ca2LaP
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.63
_cell_length_b   9.46
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   92.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Ca2LaP
_chemical_formula_sum   'Ca2 La1 P1'
_cell_volume   124.54
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ca0  1  0.5  0.08  0.0  1.0
  Ca  Ca1  1  0.5  0.46  0.0  1.0
  La  La2  1  0.0  0.27  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ca Ca La P
Ca Ca La P 0 2 o o o 0 2 + o o 1 3 o o + 1 3 + o + 1 2 + o o 1 2 o o o 2 3 o o + 