data_KMgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   40.87
_cell_angle_beta   40.87
_cell_angle_gamma   40.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgAs2
_chemical_formula_sum   'K1 Mg1 As2'
_cell_volume   118.88
_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
  K  K2  1  0.0  0.0  0.33  1.0
  Mg  Mg3  1  0.0  0.0  0.84  1.0
  As  As0  1  0.0  0.0  0.23  1.0
  As  As1  1  0.0  0.0  0.93  1.0

data_KMgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.16
_cell_length_b   4.71
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgAs2
_chemical_formula_sum   'K2 Mg2 As4'
_cell_volume   237.76
_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
  K  K0  2  0.0  0.0  0.67  1.0
  Mg  Mg1  2  0.0  0.0  0.16  1.0
  As  As2  2  0.0  0.0  0.07  1.0
  As  As3  2  0.0  0.0  0.77  1.0

K Mg As As