data_KSrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   6.84
_cell_angle_alpha   118.92
_cell_angle_beta   118.92
_cell_angle_gamma   46.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrAs2
_chemical_formula_sum   'K1 Sr1 As2'
_cell_volume   141.51
_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  0.0  1.0
  Sr  Sr3  1  0.49  0.0  0.9  1.0
  As  As0  1  0.48  0.0  0.49  1.0
  As  As1  1  0.51  0.0  0.32  1.0

data_KSrAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   5.77
_cell_length_c   6.47
_cell_angle_alpha   67.58
_cell_angle_beta   69.19
_cell_angle_gamma   66.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrAs2
_chemical_formula_sum   'K1 Sr1 As2'
_cell_volume   141.51
_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  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.59  0.9  1.0
  As  As2  1  0.0  0.18  0.32  1.0
  As  As3  1  0.0  1.0  0.49  1.0

K Sr As As
K Sr As As 0 1 - o - 0 1 o o - 0 3 o o o 0 2 o o o 1 2 o o o 1 3 o o + 2 3 o o o 