data_NdAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAgAs2
_chemical_formula_sum   'Nd2 Ag2 As4'
_cell_volume   176.23
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.0  0.03  0.21  1.0
  Nd  Nd1  1  0.03  0.0  0.45  1.0
  Ag  Ag2  1  0.03  0.03  0.33  1.0
  Ag  Ag3  1  0.0  0.0  0.33  1.0
  As  As4  1  0.0  0.03  0.42  1.0
  As  As5  1  0.03  0.0  0.24  1.0
  As  As6  1  0.03  0.03  0.0  1.0
  As  As7  1  0.0  0.0  0.0  1.0

data_NdAgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NdAgAs2
_chemical_formula_sum   'Nd4 Ag4 As8'
_cell_volume   352.45
_cell_formula_units_Z   4
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
  Nd  Nd0  2  0.0  0.0  0.21  1.0
  Nd  Nd1  2  0.03  0.0  0.45  1.0
  Ag  Ag2  4  0.02  0.02  0.33  1.0
  As  As3  4  0.02  0.02  0.0  1.0
  As  As4  2  0.0  0.0  0.42  1.0
  As  As5  2  0.03  0.0  0.24  1.0

Nd Nd Ag Ag As As As As