data_MgAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.88
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   32.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgAs2
_chemical_formula_sum   'Mg1 Ag1 As2'
_cell_volume   76.99
_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  0.79  0.0  0.95  1.0
  Ag  Ag0  1  0.71  0.0  0.95  1.0
  As  As1  1  0.51  0.0  0.33  1.0
  As  As2  1  0.62  0.0  0.65  1.0

data_MgAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.88
_cell_length_c   5.49
_cell_angle_alpha   102.35
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgAs2
_chemical_formula_sum   'Mg1 Ag1 As2'
_cell_volume   76.99
_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  0.95  0.79  1.0
  Ag  Ag1  1  0.0  0.95  0.71  1.0
  As  As2  1  0.0  0.33  0.51  1.0
  As  As3  1  0.0  0.65  0.62  1.0

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