data_KCa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.8
_cell_angle_alpha   95.74
_cell_angle_beta   95.74
_cell_angle_gamma   30.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2W
_chemical_formula_sum   'K1 Ca2 W1'
_cell_volume   122.13
_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  0.26  0.0  0.35  1.0
  Ca  Ca0  1  0.17  0.0  0.33  1.0
  Ca  Ca1  1  0.35  0.0  0.27  1.0
  W  W3  1  0.56  0.0  0.2  1.0

data_KCa2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   6.0
_cell_length_c   6.8
_cell_angle_alpha   95.74
_cell_angle_beta   90.0
_cell_angle_gamma   105.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2W
_chemical_formula_sum   'K1 Ca2 W1'
_cell_volume   122.13
_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  0.74  0.65  1.0
  Ca  Ca1  1  0.0  0.65  0.73  1.0
  Ca  Ca2  1  0.0  0.83  0.67  1.0
  W  W3  1  0.0  0.44  0.8  1.0

K Ca Ca W