data_Ca2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   2.94
_cell_angle_alpha   93.51
_cell_angle_beta   93.51
_cell_angle_gamma   119.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CoW
_chemical_formula_sum   'Ca2 Co1 W1'
_cell_volume   78.86
_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  0.22  0.58  0.46  1.0
  Ca  Ca1  1  0.22  0.42  0.46  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.79  0.0  0.0  1.0

data_Ca2CoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   119.94
_cell_angle_beta   93.51
_cell_angle_gamma   93.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CoW
_chemical_formula_sum   'Ca2 Co1 W1'
_cell_volume   78.86
_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  0.46  0.22  0.58  1.0
  Ca  Ca1  1  0.46  0.22  0.42  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  W  W3  1  -0.0  0.79  0.0  1.0

Ca Ca Co W