data_CaZrTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   6.04
_cell_angle_alpha   93.33
_cell_angle_beta   93.33
_cell_angle_gamma   32.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrTa2
_chemical_formula_sum   'Ca1 Zr1 Ta2'
_cell_volume   93.12
_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
  Zr  Zr3  1  0.97  0.0  0.01  1.0
  Ta  Ta1  1  0.7  0.0  0.84  1.0
  Ta  Ta2  1  0.24  0.0  0.19  1.0

data_CaZrTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.37
_cell_length_c   6.04
_cell_angle_alpha   93.33
_cell_angle_beta   90.0
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrTa2
_chemical_formula_sum   'Ca1 Zr1 Ta2'
_cell_volume   93.12
_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
  Zr  Zr1  1  0.0  0.03  0.99  1.0
  Ta  Ta2  1  0.0  0.3  0.16  1.0
  Ta  Ta3  1  0.0  0.76  0.81  1.0

Ca Zr Ta Ta