data_CaTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   142.34
_cell_angle_beta   142.34
_cell_angle_gamma   54.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2W
_chemical_formula_sum   'Ca1 Te2 W1'
_cell_volume   105.16
_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
  Te  Te1  1  0.12  0.0  0.92  1.0
  Te  Te2  1  0.0  0.0  0.85  1.0
  W  W3  1  0.0  0.12  0.92  1.0

data_CaTe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.57
_cell_angle_alpha   108.83
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTe2W
_chemical_formula_sum   'Ca1 Te2 W1'
_cell_volume   105.16
_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
  Te  Te1  1  0.08  0.0  0.2  1.0
  Te  Te2  1  0.15  0.0  0.15  1.0
  W  W3  1  0.2  0.12  0.2  1.0

Ca Te Te W