data_MgAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   4.11
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgAs2
_chemical_formula_sum   'Mg1 Ag1 As2'
_cell_volume   77.23
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.05  0.38  1.0
  As  As1  1  0.98  0.05  0.0  1.0
  As  As2  1  0.98  0.0  0.38  1.0

data_MgAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.11
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgAs2
_chemical_formula_sum   'Mg1 Ag1 As2'
_cell_volume   77.23
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  -0.0  0.05  0.38  1.0
  As  As2  1  0.98  0.0  0.38  1.0
  As  As3  1  0.98  0.05  -0.0  1.0

Mg Ag As As
Mg Ag As As 0 2 - o o 1 3 - o o 