data_KCaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   4.08
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaAs2
_chemical_formula_sum   'K1 Ca1 As2'
_cell_volume   113.17
_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  K3  1  0.0  0.0  0.0  1.0
  Ca  Ca2  1  0.94  0.0  0.52  1.0
  As  As0  1  0.91  0.04  0.3  1.0
  As  As1  1  0.91  0.04  0.74  1.0

data_KCaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.08
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaAs2
_chemical_formula_sum   'K1 Ca1 As2'
_cell_volume   113.17
_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
  Ca  Ca1  1  0.94  0.0  0.52  1.0
  As  As2  1  0.91  0.04  0.3  1.0
  As  As3  1  0.91  0.04  0.74  1.0

K Ca As As