data_LaAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   123.81
_cell_angle_beta   123.81
_cell_angle_gamma   83.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgAs2
_chemical_formula_sum   'La1 Ag1 As2'
_cell_volume   91.64
_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  La3  1  0.0  0.0  0.86  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.44  0.0  0.93  1.0
  As  As2  1  0.0  0.44  0.93  1.0

data_LaAgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   131.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAgAs2
_chemical_formula_sum   'La2 Ag2 As4'
_cell_volume   183.29
_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  0.14  0.0  0.14  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  As  As2  4  0.29  0.22  0.51  1.0

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