data_CaCo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.15
_cell_angle_alpha   100.82
_cell_angle_beta   100.82
_cell_angle_gamma   41.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2W
_chemical_formula_sum   'Ca1 Co2 W1'
_cell_volume   72.05
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.05  0.0  0.93  1.0
  Co  Co2  1  0.69  0.0  0.1  1.0
  W  W3  1  0.37  0.0  0.01  1.0

data_CaCo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.26
_cell_length_c   6.15
_cell_angle_alpha   100.82
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2W
_chemical_formula_sum   'Ca1 Co2 W1'
_cell_volume   72.05
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.31  0.9  1.0
  Co  Co2  1  0.0  0.95  0.07  1.0
  W  W3  1  0.0  0.63  0.99  1.0

Ca Co Co W